SCHEMBL313146

SCHEMBL313146

CC(=O)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.54
KDR P35968 1/20 0.45
NOTUM Q6P988 3/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
ESRRA P11474 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
KMO O15229 2/20 0.42
RAPGEF3 O95398 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
PDK1 Q15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL30440617 0.85 NPFFR2 (0.58) KIF11KDRNOTUMNPFFR2PDK1
SCHEMBL76697 0.85 NPFFR2 (0.58) KIF11KDRNOTUMNPFFR2PDK1
SCHEMBL6139390 0.83 ESRRA (0.55) KIF11AKR1C3AKR1C2ESRRAMRGPRX4
SCHEMBL29624981 0.83 TSHR (0.59) KDRNOTUMKMOMRGPRX4PDK1
SCHEMBL10532934 0.83 KMO (0.43) KIF11KDRNOTUMGPBAR1KMO
SCHEMBL24400223 0.83 KMO (0.43) KIF11KDRNOTUMGPBAR1KMO
SCHEMBL30255650 0.83 NOTUM (0.46) KIF11KDRNOTUMNPFFR2GPBAR1
SCHEMBL9526608 0.83 NOTUM (0.46) KIF11KDRNOTUMNPFFR2GPBAR1
SCHEMBL1920001 0.83 TSHR (0.59) KDRNOTUMKMOMRGPRX4PDK1
SCHEMBL1925084 0.82 KIF11 (0.59) KIF11NOTUMAKR1C3AKR1C2MAOA

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
EP-4680608-A1 2,6-DIHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE DERIVATIVES AS ANTI-MALARIAL AGENTS MMV Medicines for Malaria Venture (CH) 2026-01-21 EP disclosed
EP-4305681-A1 NEW CERIUM (IV) COMPLEXES AND THEIR USE IN ORGANIC ELECTRONICS CREDOXYS GmbH (DE) 2024-01-17 EP disclosed
WO-2023215376-A1 METHODS OF TREATING NEUROPATHIES ATHIRA PHARMA, INC. (US) 2023-11-09 WO disclosed
CN-116964026-A Novel cerium (IV) complexes and their use in electronics 克雷多西斯有限公司 2023-10-27 CN disclosed
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
WO-2022189431-A1 NEW CERIUM (IV) COMPLEXES AND THEIR USE IN ORGANIC ELECTRONICS Credoxys GmbH (DE) 2022-09-15 WO disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 CN disclosed
US-8349844-B2 Substituted pyrazolo [1,5-A] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GATTI MCARTHUR SILVIA (CH) 2012-02-16 US disclosed
US-20050069492-A1 Imidazo [2,1-b]-1,3,4-thiadiazole suflonamides PHARMASCIENCE INC. (CA) 2005-03-31 US disclosed
EP-1463735-A1 IMIDAZO[2,1-B]-1,3,4-THIADIAZOLE SULFONAMIDES Aegera Therapeutics Inc. (CA) 2004-10-06 EP disclosed
WO-2003101970-A1 IMIDAZOLIUM CXCR3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 WO disclosed
WO-2003051890-A1 IMIDAZO [2,1-B]-1,3,4-THIADIAZOLE SUFLONAMIDES AEGERA THERAPEUTICS INC. (CA) 2003-06-26 WO disclosed
EP-0365913-B1 Substituted 2-aminothiazoles BAYER AG (DE) 1993-11-18 EP disclosed
US-5142092-A Chemical intermediate for making fungicides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
EP-0365914-B1 FLUORINE-CONTAINING ACETOPHENONES OPTIONALLY HALOGENATED IN THE CH3-GROUP, AND THEIR PREPARATION FROM FLUORINATED BENZONITRILES BAYER AG (DE) 1992-07-22 EP disclosed
US-5104879-A ANTIMYCOTICALLY ACTIVE SUBSTITUTED 2-AMINOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0365914-A2 Fluorine-containing acetophenones optionally halogenated in the CH3-group, and their preparation from fluorinated benzonitriles BAYER AG (DE) 1990-05-02 EP disclosed
EP-0365913-A2 Substituted 2-aminothiazoles BAYER AG (DE) 1990-05-02 EP 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 (2 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK KIF11 4211/4885KDR 226/4885NOTUM 2577/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 KIF11 1243/4885KDR 1775/4885NOTUM 4395/4885

“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.