SCHEMBL424964

SCHEMBL424964

Cc1ccc2c(cnn2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
CTNNB1 P35222 1/20 0.44
TCF7 P36402 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
CDC7 O00311 1/20 0.44
TRPM5 Q9NZQ8 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PDE1C Q14123 1/20 0.43
MAOB P27338 3/20 0.43
CACNA1H O95180 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
APP P05067 1/20 0.42
KMO O15229 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL29769166 1.00 TRPA1 (0.46) TRPA1CTNNB1TCF7SLC22A12CDC7
SCHEMBL425168 0.83 KMO (0.57) CTNNB1TCF7CYP11B2MAPTRXFP1
SCHEMBL29901474 0.83 KMO (0.57) CTNNB1TCF7CYP11B2MAPTRXFP1
SCHEMBL13680579 0.81 NR3C1 (0.60) TRPA1APPNR3C1
SCHEMBL15344156 0.78 CCR1 (0.47) TRPA1CDC7CYP2A6APP
SCHEMBL378619 0.78 CHEK1 (0.57) TRPA1CTNNB1TCF7CDC7TRPM5
SCHEMBL2118942 0.78 MAOB (0.46) TRPA1CTNNB1TCF7CDC7TRPM5
SCHEMBL13106148 0.78 HTR2A (0.53) TRPA1CTNNB1TCF7CDC7TRPM5
SCHEMBL13106151 0.78 KMO (0.51) TRPA1CTNNB1TCF7CDC7TRPM5
SCHEMBL11794 0.78 EGFR (0.46) TRPA1CTNNB1TCF7CDC7TRPM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151638-A2 COMPOUNDS FOR FGFRS INHIBITORS COGENT BIOSCIENCES, INC. (US) 2024-07-18 WO disclosed
WO-2024108147-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
EP-3568390-B1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2024-03-06 EP disclosed
WO-2024039858-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF OLEMA PHARMACEUTICALS, INC. (US) 2024-02-22 WO disclosed
WO-2024020164-A2 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. (US) 2024-01-25 WO disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
WO-2023249872-A1 SUBSTITUTED FUSED BICYCLIC COMPOUNDS AND RELATED METHODS OF TREATMENT ALKERMES, INC. (US) 2023-12-28 WO disclosed
EP-4289827-A1 FUSED RING DERIVATIVES CONTAINING 1,4-OXAZEPANE Medshine Discovery Inc. (CN) 2023-12-13 EP disclosed
EP-3628044-B1 PYRROLO[2,3-C]PYRIDINES AND RELATED ANALOGS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2023-11-22 EP disclosed
US-7378423-B2 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2008-05-27 US disclosed
US-7378423-B2 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2008-05-27 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-04-17 US disclosed
WO-2007067537-A1 PYRROLOPYRIDINE KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-20070015794-A1 Endothelial growth factor; angiogenesis inhibitors; antitumor agents; skin disorders; endimetriosis; Crohn's disease; leukemia; antiarthritic agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 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-20070015794-A1 Endothelial growth factor; angiogenesis inhibitors; antitumor agents; skin disorders; endimetriosis; Crohn's disease; leukemia; antiarthritic agents FLT4, KDR, FLT1 TRPA1 1497/4885CTNNB1 3509/4885TCF7 2634/4885
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES MYLK3, MYLK, CDK3 TRPA1 4856/4885CTNNB1 1832/4885TCF7 2211/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 TRPA1 2585/4885CTNNB1 1253/4885TCF7 1032/4885
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds BMX, ERBB2, FRK TRPA1 4629/4885CTNNB1 1585/4885TCF7 2966/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK TRPA1 3352/4885CTNNB1 1514/4885TCF7 2981/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 TRPA1 3207/4885CTNNB1 884/4885TCF7 3246/4885

“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.