SCHEMBL637010

SCHEMBL637010

CCc1cc(Br)cc(CC)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
POLB P06746 1/20 0.50
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
CYP2D6 P10635 2/20 0.36
SLC6A4 P31645 2/20 0.36
KCNH2 Q12809 2/20 0.36
ABCB11 O95342 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
LMNA P02545 3/20 0.35

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
SCHEMBL7784820 0.88 HTT (0.41) HTTPOLBGABRA1GABRB2MAPT
SCHEMBL31531584 0.88 CYP2D6 (0.47) HTTPOLBGABRA1GABRB2MAPT
SCHEMBL8429788 0.88 CYP2D6 (0.47) HTTPOLBGABRA1GABRB2MAPT
SCHEMBL1145124 0.86 ALDH1A1 (0.49) HTTPOLBGABRA1GABRB2MAPT
SCHEMBL23115658 0.84 HTT (0.38) HTTPOLBGABRA1GABRB2MAPT
SCHEMBL29617504 0.84 HTT (0.38) HTTPOLBGABRA1GABRB2MAPT
SCHEMBL18398219 0.84 HTT (0.38) HTTPOLBGABRA1GABRB2MAPT
SCHEMBL11141869 0.84 HTT (0.38) HTTPOLBGABRA1GABRB2MAPT
SCHEMBL19701762 0.81 MAPT (0.46) POLBMAPTL3MBTL1GAATDP1
SCHEMBL21633060 0.80 MAPT (0.38) HTTPOLBGABRA1GABRB2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417125-B1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-09-09 EP claimed
US-8772280-B2 N-aryl-2-(2-arylaminopyrimidin-4-yl)pyrrol-4-carboxamide derivatives as MPS1 kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-08 US claimed
WO-2010108921-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-09-30 WO claimed
EP-1066269-B1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2005-05-11 EP claimed
CN-1157386-C Trisubstituted 1,3,5-triazine derivatives for treatment by HIV infections ղɭҩҵ���޹�˾ 2004-07-14 CN claimed
US-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives DAEYAERT FREDERIK FRANS DESIRE (BE) 2002-08-22 US claimed
CN-1295566-A Trisubstituted 1,3,5-triazine derivatives for treatment by HIV infections JANSSEN PHARMACEUTICA NV (BE) 2001-05-16 CN claimed
EP-1066269-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP claimed
US-6150360-A ADMINISTERING TO A PATIENT SUFFERING FROM HUMAN IMMUNODEFICIENCY VIRUS INFECTION A TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2000-11-21 US claimed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO claimed
US-11760868-B2 Preparation method for a flame retardant polystyrene Useon (Nanjing) Extrusion Machinery Co., Ltd. (CN) 2023-09-19 US disclosed
US-20230151199-A1 PREPARATION METHOD FOR A FLAME RETARDANT POLYSTYRENE USEON TECHNOLOGY LIMITED (CN) 2023-05-18 US disclosed
CN-113896822-B Preparation method of high-efficiency flame-retardant polystyrene by applying bromine flame retardant containing active functional group 江苏越升科技股份有限公司 2022-10-04 CN disclosed
CN-114907267-A Pharmaceutical composition for resisting tumor 中国科学院上海药物研究所 2022-08-16 CN disclosed
WO-2022166990-A1 ANTI-TUMOR PHARMACEUTICAL COMBINATION 中国科学院上海药物研究所 2022-08-11 WO disclosed
US-4418209-A ANTIULCER, ANTIARRYTHMIC, ANTIDIARRHEAL, ANTISPASMODIC, ANTIPARASITIC, AND ANTISECRETORY AGENTS WILLIAM H. RORER, INC. (US) 1983-11-29 US disclosed
US-4326075-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 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 (1 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-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives XDH, CCR5, CXCR1 HTT 1949/4885POLB 2618/4885GABRA1 2112/4885

“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.