SCHEMBL9610936

SCHEMBL9610936

CCc1cncc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
IDH1 O75874 1/20 0.36
IDO1 P14902 2/20 0.35
CRHR1 P34998 1/20 0.35
AGBL2 Q5U5Z8 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 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
SCHEMBL11973910 0.84 DAO (0.51) DAOCYP11B1CYP11B2GRIN1GRIN2B
SCHEMBL10259264 0.81 MAPT (0.33) DAO
SCHEMBL11955024 0.80 CYP11B1 (0.47) DAOCYP11B1CYP11B2GRIN1GRIN2B
SCHEMBL20178552 0.80 DAO (0.48) DAOCYP11B1CYP11B2
SCHEMBL7547420 0.79 DAO (0.46) DAOCYP11B1CYP11B2GRIN1GRIN2B
SCHEMBL7912506 0.79 DAO (0.46) DAOCYP11B1CYP11B2GRIN1GRIN2B
SCHEMBL19584345 0.79 DAO (0.46) DAOCYP11B1CYP11B2GRIN1GRIN2B
SCHEMBL3509615 0.79 DAO (0.46) DAOCYP11B1CYP11B2GRIN1GRIN2B
SCHEMBL17941492 0.79 DAO (0.46) DAOCYP11B1CYP11B2GRIN1GRIN2B
SCHEMBL5018942 0.79 CYP11B1 (0.46) DAOCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
WO-2023227698-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INT (DE) 2023-11-09 US disclosed
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INT (DE) 2023-11-09 US disclosed
EP-4248973-A2 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2023-09-27 EP disclosed
US-11766443-B2 Cyclopentathiophene carboxamide derivatives as platelet activating factor receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-26 US disclosed
US-11766443-B2 Cyclopentathiophene carboxamide derivatives as platelet activating factor receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-26 US disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
US-20230271968-A1 PYRAZOLOPYRIMIDINE COMPOUND USED AS ATR KINASE INHIBITOR BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-08-31 US disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 US disclosed
US-20100179172-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PESTICIDE CONTAINING IT ISHIHARA SANGYO KAISHA , LTD. (JP) 2010-07-15 US disclosed
US-20100179172-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PESTICIDE CONTAINING IT ISHIHARA SANGYO KAISHA , LTD. (JP) 2010-07-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
EP-2172456-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PEST CONTROL AGENT CONTAINING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-04-07 EP disclosed
WO-2009154132-A1 SPIRODIAMINE-DIARYLKETOXIME DERIVATIVE 萬有製薬株式会社 (JP) 2009-12-23 WO disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 US disclosed
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors ELI LILLY AND COMPANY 2009-03-12 US disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 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 (11 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-20090149471-A1 Monocyclic Heterocyclic Compounds CYP11B2, CYP3A5, CYP1A2 DAO 1748/4885CYP11B1 22/4885CYP11B2 1/4885
US-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA DAO 1288/4885CYP11B1 106/4885CYP11B2 68/4885
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 DAO 3026/4885CYP11B1 3180/4885CYP11B2 2192/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 DAO 2554/4885CYP11B1 9/4885CYP11B2 2/4885
US-11766443-B2 Cyclopentathiophene carboxamide derivatives as platelet activating factor receptor antagonists PTAFR, PDGFRA, F3 DAO 3323/4885CYP11B1 2980/4885CYP11B2 2826/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 DAO 2844/4885CYP11B1 3438/4885CYP11B2 3753/4885
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors PGR, NPSR1, PRLHR DAO 4535/4885CYP11B1 192/4885CYP11B2 223/4885
US-20230271968-A1 PYRAZOLOPYRIMIDINE COMPOUND USED AS ATR KINASE INHIBITOR ATR, CHEK1, CHEK2 DAO 3690/4885CYP11B1 1139/4885CYP11B2 1354/4885
US-20100179172-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PESTICIDE CONTAINING IT CHRM2, CHRM5, CHRM3 DAO 1319/4885CYP11B1 309/4885CYP11B2 385/4885
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists PTAFR, PDGFRA, F3 DAO 3323/4885CYP11B1 2980/4885CYP11B2 2826/4885
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A DAO 1938/4885CYP11B1 1452/4885CYP11B2 1986/4885

“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.