SCHEMBL18133834

SCHEMBL18133834

CC(C)(C)c1c(F)ccc2cn[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ NOS1 P29475 4/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TRPA1 O75762 2/20 0.35
▸ MET P08581 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ FGFR2 P21802 2/20 0.34
▸ PLK4 O00444 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ LTK P29376 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21982607 0.83 MAPT (0.39) MAPTNOS1IDO1ALDH1A1HTT
SCHEMBL19304042 0.83 MAPT (0.39) MAPTNOS1IDO1ALDH1A1HTT
SCHEMBL17030767 0.80 MAPT (0.58) MAPTNOS1ALDH1A1HTTTRPA1
SCHEMBL22793062 0.80 MAPT (0.44) MAPTNOS1IDO1ALDH1A1HTT
SCHEMBL21733576 0.79 MAPT (0.43) MAPTNOS1IDO1ALDH1A1HTT
SCHEMBL17030770 0.79 NOS1 (0.50) MAPTNOS1ALDH1A1HTTTRPA1
SCHEMBL20850536 0.77 MAPT (0.36) MAPTALDH1A1HTTTGFBR1
SCHEMBL17641728 0.76 MAPT (0.52) MAPTNOS1IDO1ALDH1A1HTT
SCHEMBL14737058 0.75 MAPT (0.46) MAPTNOS1IDO1ALDH1A1HTT
SCHEMBL31358225 0.75 MAPT (0.46) MAPTNOS1IDO1ALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 — — US disclosed
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2023-05-11 — — US disclosed
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS ARAXES PHARMA LLC (US) 2023-05-02 — — US disclosed
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS ARAXES PHARMA LLC (US) 2023-05-02 — — US disclosed
US-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 — — US disclosed
US-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 — — US disclosed
US-20230002382-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUNDS Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-01-05 — — US disclosed
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer ARAXES PHARMA LLC (US) 2022-03-22 — — US disclosed
US-11274093-B2 Fused bicyclic benzoheteroaromatic compounds and methods of use thereof ARAXES PHARMA LLC (US) 2022-03-15 — — US disclosed
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS ARAXES PHARMA LLC (US) 2021-12-09 — — US disclosed
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-03-29 — — US disclosed
US-20180015087-A1 CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-01-18 — — US disclosed
US-20180015087-A1 CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-01-18 — — US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 — — US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 — — US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 — — US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 — — US disclosed
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-01-26 — — US disclosed
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-01-26 — — US disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS MAPT 3744/4885NOS1 3741/4885IDO1 4472/4885
US-20180015087-A1 CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAPT 4115/4885NOS1 4867/4885IDO1 4831/4885
US-11274093-B2 Fused bicyclic benzoheteroaromatic compounds and methods of use thereof KRAS, NRAS, HRAS MAPT 4307/4885NOS1 4733/4885IDO1 4661/4885
US-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND KRAS, NRAS, HRAS MAPT 4285/4885NOS1 3094/4885IDO1 4719/4885
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAPT 4487/4885NOS1 2860/4885IDO1 3856/4885
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS KRAS, NRAS, G3BP2 MAPT 3823/4885NOS1 2844/4885IDO1 4070/4885
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAPT 4151/4885NOS1 3106/4885IDO1 4717/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 MAPT 1542/4885NOS1 4726/4885IDO1 4774/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS MAPT 4060/4885NOS1 2789/4885IDO1 3535/4885
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAPT 4149/4885NOS1 4229/4885IDO1 4554/4885
US-20230002382-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUNDS KRAS, NRAS, HRAS MAPT 4535/4885NOS1 4036/4885IDO1 4578/4885
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAPT 4598/4885NOS1 3918/4885IDO1 4280/4885
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer KRAS, NRAS, HRAS MAPT 4433/4885NOS1 4455/4885IDO1 1513/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAPT 4467/4885NOS1 3116/4885IDO1 4190/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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