SCHEMBL3482455

SCHEMBL3482455

NC(=O)Nc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.53
GPR35 Q9HC97 1/20 0.51
MAPT P10636 1/20 0.50
XPO1 O14980 1/20 0.49
ALDH1A1 P00352 1/20 0.48
P2RX1 P51575 3/20 0.48
TMPRSS4 Q9NRS4 1/20 0.48
S1PR2 O95136 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LMNA P02545 1/20 0.46
ACP1 P24666 1/20 0.45
RIPK1 Q13546 1/20 0.44

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
SCHEMBL4488889 0.89 MAPT (0.61) KIF11GPR35MAPTP2RX1LMNA
SCHEMBL3620508 0.84 GPR35 (0.58) GPR35MAPTXPO1ALDH1A1P2RX1
SCHEMBL2910974 0.82 ALDH1A1 (0.61) KIF11MAPTALDH1A1P2RX1LMNA
SCHEMBL30977688 0.82 MAPT (0.54) KIF11GPR35MAPTXPO1P2RX1
SCHEMBL20560661 0.82 XPO1 (0.52) GPR35MAPTXPO1P2RX1TMPRSS4
SCHEMBL12144643 0.82 MAPT (0.54) KIF11GPR35MAPTXPO1P2RX1
SCHEMBL18724739 0.82 GPR35 (0.43) GPR35MAPTXPO1P2RX1TMPRSS4
SCHEMBL16379971 0.81 MAPT (0.57) KIF11GPR35MAPTALDH1A1P2RX1
SCHEMBL31356653 0.81 MAPT (0.57) KIF11GPR35MAPTALDH1A1P2RX1
SCHEMBL5448110 0.81 ACP1 (0.60) KIF11GPR35MAPTP2RX1TMPRSS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957485-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Healthcare, LLC (US) 2008-08-20 EP claimed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO claimed
CN-119630645-A Flavivirus inhibitors IRBM股份公司 2025-03-14 CN disclosed
US-RE47493-E1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-09 US disclosed
US-RE47493-E1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-09 US disclosed
EP-3013798-B1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BEIGENE LTD (KY) 2018-06-27 EP disclosed
EP-2964617-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
CN-105732634-A Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis 拜尔健康护理有限责任公司 2016-07-06 CN disclosed
EP-2964617-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-01-13 EP disclosed
US-9115093-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 US disclosed
US-9115093-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 US disclosed
US-20090093477-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE IN THERAPY CHIESI FARMACEUTICI S.P.A. (IT) 2009-04-09 US disclosed
CN-101365454-A Substituted 4-amino-pyrrolotriazine derivatives for the treatment of hyperproliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-02-11 CN disclosed
CN-101326157-A Diphenyl urea derivatives ARPIDA AG (CH) 2008-12-17 CN disclosed
WO-2008135537-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2008-11-13 WO disclosed
EP-1957485-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Healthcare, LLC (US) 2008-08-20 EP disclosed
WO-2008003412-A1 THE USE OF 1,4-DIARYL-DIHYDROPYRIMIDINE-2-ON DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTENSION BAYER HEALTHCARE AG (DE) 2008-01-10 WO disclosed
CN-1993361-A Pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORP (US) 2007-07-04 CN disclosed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 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 (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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 KIF11 1709/4885GPR35 87/4885MAPT 680/4885
US-20090093477-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE IN THERAPY NOX1, NOX3, ELANE KIF11 4285/4885GPR35 2992/4885MAPT 4591/4885

“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.