SCHEMBL22328042

SCHEMBL22328042

Cc1ncc2[nH]ncc2c1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.36
▸ ABL1 P00519 1/20 0.33
▸ METAP2 P50579 3/20 0.33
▸ AXL P30530 2/20 0.33
▸ DHPS P49366 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ NOS1 P29475 3/20 0.32
▸ TDO2 P48775 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ PDPK1 O15530 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL21662933 0.76 IDO1 (0.40) IDO1ABL1METAP2AXLDRD1
SCHEMBL17030764 0.74 IDO1 (0.43) IDO1METAP2AXLDHPSTDO2
SCHEMBL17030759 0.74 IDO1 (0.41) IDO1METAP2AXLDHPSNOS1
SCHEMBL22924097 0.74 CYP17A1 (0.30) CYP1A2
SCHEMBL19960703 0.73 IDO1 (0.38) IDO1ABL1METAP2AXLDRD1
SCHEMBL9941919 0.73 NOS1 (0.41) IDO1ABL1METAP2AXLDRD1
SCHEMBL24782269 0.71 IDO1 (0.41) IDO1METAP2NOS1TDO2CYP1A2
SCHEMBL26419117 0.71 IDO1 (0.41) IDO1METAP2AXLTDO2CYP1A2
SCHEMBL22349059 0.70 IDO1 (0.36) IDO1ABL1METAP2AXLDRD1
SCHEMBL25696165 0.70 METAP2 (0.36) IDO1ABL1METAP2AXLDRD1

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 7 patents. 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-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-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-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 — — US disclosed
US-10745385-B2 Covalent inhibitors of KRAS ARAXES PHARMA LLC (US) 2020-08-18 — — US disclosed
US-10736897-B2 Compounds and methods of use thereof for treatment of cancer ARAXES PHARMA LLC (US) 2020-08-11 — — 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 (6 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-10736897-B2 Compounds and methods of use thereof for treatment of cancer KRAS, NRAS, HRAS IDO1 4264/4885ABL1 262/4885METAP2 2542/4885
US-10745385-B2 Covalent inhibitors of KRAS KRAS, NRAS, HRAS IDO1 3913/4885ABL1 192/4885METAP2 4117/4885
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 IDO1 4070/4885ABL1 650/4885METAP2 1906/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 IDO1 4774/4885ABL1 40/4885METAP2 4028/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS IDO1 3535/4885ABL1 123/4885METAP2 4021/4885
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS IDO1 4758/4885ABL1 812/4885METAP2 4234/4885

“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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