SCHEMBL62144

SCHEMBL62144

CC(C)c1ccc2[nH]ncc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 5/20 0.46
▸ AXL P30530 2/20 0.46
▸ TRPA1 O75762 2/20 0.41
▸ IDO1 P14902 4/20 0.40
▸ METAP2 P50579 4/20 0.39
▸ CSNK2A1 P68400 1/20 0.38
▸ TDO2 P48775 1/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ C5AR1 P21730 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CCNA2 P20248 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
Nitric Acid SCHEMBL6530372 0.88 NOS1 (0.42) NOS1AXLTRPA1IDO1METAP2
SCHEMBL16746127 0.80 TRPA1 (0.42) NOS1AXLTRPA1IDO1METAP2
SCHEMBL22281317 0.80 TRPA1 (0.42) NOS1AXLTRPA1IDO1METAP2
SCHEMBL14803988 0.79 NOS1 (0.46) NOS1AXLTRPA1IDO1METAP2
SCHEMBL20618762 0.79 TRPA1 (0.44) NOS1AXLTRPA1IDO1METAP2
SCHEMBL21341312 0.77 TRPA1 (0.40) NOS1AXLTRPA1IDO1METAP2
SCHEMBL24944422 0.76 BRD4 (0.44) NOS1AXLTRPA1IDO1METAP2
SCHEMBL21217948 0.76 TRPA1 (0.39) NOS1AXLTRPA1IDO1METAP2
SCHEMBL4133588 0.76 NOS1 (0.50) NOS1AXLTRPA1IDO1METAP2
SCHEMBL29428710 0.76 NOS1 (0.50) NOS1AXLTRPA1IDO1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 — — CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 — — US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 — — US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 — — US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 — — US disclosed
CN-109843856-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2023-05-02 — — CN disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 — — EP disclosed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 — — WO disclosed
US-11267812-B2 KRAS G12C inhibitors Mirati Therapeutics, Inc. (US) 2022-03-08 — — US disclosed
EP-3458445-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2021-02-17 — — EP disclosed
WO-2005110416-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2005-11-24 — — WO disclosed
EP-1487796-A4 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2005-11-16 — — EP disclosed
EP-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 — — EP disclosed
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-05-05 — — US disclosed
US-6858637-B2 Treating rheumatoid arthritis, psoriasis, cardiovascular disease, reperfusion injury, and bronchial asthma; e.g., 2-Methoxynaphthalene-1-carboxylic acid benzyl-indan-2-yl-amide NEUROGEN CORPORATION (US) 2005-02-22 — — US disclosed
EP-1487796-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-12-22 — — EP disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 — — US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 — — WO disclosed
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 — — US disclosed
WO-2003082826-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 — — WO 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-20040048913-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 NOS1 2722/4885AXL 611/4885TRPA1 1933/4885
US-11267812-B2 KRAS G12C inhibitors KRAS, NRAS, HRAS NOS1 4612/4885AXL 4091/4885TRPA1 4503/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 NOS1 2908/4885AXL 549/4885TRPA1 1953/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS NOS1 4612/4885AXL 4091/4885TRPA1 4503/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 NOS1 2585/4885AXL 595/4885TRPA1 339/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS NOS1 4612/4885AXL 4091/4885TRPA1 4503/4885

“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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