SCHEMBL17030767

SCHEMBL17030767

Cc1ccc2cn[nH]c2c1C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ NOS1 P29475 3/20 0.39
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TRPA1 O75762 4/20 0.36
▸ FGFR1 P11362 3/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ PTK2 Q05397 2/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ RET P07949 1/20 0.34

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
SCHEMBL19115364 0.83 MAPT (0.51) MAPTALDH1A1HTTNOS1CYP1A2
SCHEMBL22793062 0.81 MAPT (0.44) MAPTALDH1A1HTTNOS1CYP1A2
SCHEMBL21733576 0.80 MAPT (0.43) MAPTALDH1A1HTTNOS1CYP1A2
SCHEMBL17030770 0.80 NOS1 (0.50) MAPTALDH1A1HTTNOS1CYP1A2
SCHEMBL18133834 0.80 MAPT (0.43) MAPTALDH1A1HTTNOS1CYP1A2
SCHEMBL25724221 0.78 MAPT (0.38) MAPTALDH1A1HTT
SCHEMBL17030762 0.76 MAPT (0.40) MAPTALDH1A1HTTNOS1TRPA1
SCHEMBL8404431 0.76 MAPT (0.66) MAPTALDH1A1HTTNOS1CYP1A2
SCHEMBL12121763 0.75 MAPT (0.63) MAPTALDH1A1HTTNOS1CYP1A2
SCHEMBL23083828 0.73 MAPT (0.61) MAPTALDH1A1HTTNOS1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 — — US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 — — US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 — — US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 — — US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 — — US disclosed
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-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-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 — — US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 — — 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-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 — — US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 — — US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 — — 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 (12 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 3744/4885ALDH1A1 3979/4885HTT 1559/4885
US-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS MAPT 3269/4885ALDH1A1 3678/4885HTT 3961/4885
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAPT 4487/4885ALDH1A1 3753/4885HTT 3288/4885
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAPT 4151/4885ALDH1A1 1402/4885HTT 1269/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 MAPT 1542/4885ALDH1A1 3223/4885HTT 1361/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS MAPT 2968/4885ALDH1A1 2917/4885HTT 406/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS MAPT 279/4885ALDH1A1 4178/4885HTT 2353/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS MAPT 4060/4885ALDH1A1 3346/4885HTT 1515/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS MAPT 279/4885ALDH1A1 4178/4885HTT 2353/4885
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAPT 4598/4885ALDH1A1 2059/4885HTT 3189/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS MAPT 4271/4885ALDH1A1 1577/4885HTT 3567/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAPT 4467/4885ALDH1A1 3333/4885HTT 1729/4885

“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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