SCHEMBL4844072

SCHEMBL4844072

CSc1nc(Cl)c(-c2ccccc2)c(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
HTT P42858 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HSP90AA1 P07900 2/20 0.49
XBP1 P17861 1/20 0.49
PAX8 Q06710 1/20 0.49
HSP90AB1 P08238 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
DCUN1D1 Q96GG9 1/20 0.46
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARG P37231 1/20 0.40

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
SCHEMBL2876016 0.88 KDM4E (0.43) KDM4EHTTNPC1RAB9AHSP90AA1
SCHEMBL2876019 0.88 HSP90AA1 (0.50) KDM4EHTTNPC1RAB9AHSP90AA1
SCHEMBL13064595 0.86 DHFR (0.47) KDM4EHTTNPC1RAB9AHSP90AA1
SCHEMBL13020880 0.85 KDM4E (0.41) KDM4EHTTNPC1RAB9AHSP90AA1
SCHEMBL7699598 0.84 KDM4E (0.49) KDM4EHTTNPC1RAB9AHSP90AA1
SCHEMBL6624890 0.84 MAPT (0.55) KDM4EHTTNPC1RAB9AHSP90AA1
SCHEMBL4839488 0.84 KDM4E (0.57) KDM4EHTTNPC1RAB9AHSP90AA1
SCHEMBL10847225 0.84 HSP90AA1 (0.43) KDM4EHTTNPC1RAB9AHSP90AA1
SCHEMBL7811229 0.82 CYP1A2 (0.58) KDM4EHTTNPC1RAB9ADCUN1D1
SCHEMBL31504610 0.79 L3MBTL1 (0.54) KDM4EHTTNPSR1KMT2AMEN1

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
US-6176909-B1 IN POLYMERIC BINDER XEROX CORPORATION 2001-01-23 US claimed
US-20090076047-A1 2-Substituted Hydroxylaminopyrimidine, Method for the Production and the Use Thereof in the Form of Pesticides BASF AKTIENGESELLSCHAFT (DE) 2009-03-19 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-20080132522-A1 2-Substituted Pyrimidines, Method for Their Production and Their Use for Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-06-05 US disclosed
US-20070208037-A1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES PEES KLAUS-JUERGEN 2007-09-06 US disclosed
US-7230104-B2 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2007-06-12 US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US disclosed
US-20050282828-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines PEES KLAUS-JUERGEN 2005-12-22 US disclosed
US-20050282847-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines PEES KLAUS-JUERGEN 2005-12-22 US disclosed
WO-2001017976-A1 BIS-SULFONAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2001-03-15 WO disclosed
US-6176909-B1 IN POLYMERIC BINDER XEROX CORPORATION 2001-01-23 US disclosed
EP-0976753-A1 [1,2,4]TRIAZOLO[1,5-c]PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-02-02 EP disclosed
EP-0714896-A1 INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION VITA-INVEST, S.A. (ES) 1996-06-05 EP disclosed
EP-0121341-B1 TRIAZOLO(4,3-C)PYRIMIDINES AND TRIAZOLO(1,5-C)PYRIMIDINES SUBSTITUTED BY NITROGEN-CONTAINING HETEROCYCLIC RINGS RIKER LABORATORIES, INCORPORATED (US) 1988-11-17 EP disclosed
US-4612375-A Substituted 4-hydrazino-pyrimides as intermediates for triazolo [4,3-c]pyrimidines RIKER LABORATORIES, INC. (US) 1986-09-16 US disclosed
US-4536579-A BRONCHODILATING AGENTS RIKER LABORATORIES, INC. (US) 1985-08-20 US disclosed
US-4532242-A Bronchodilator agents RIKER LABORATORIES, INC. (US) 1985-07-30 US disclosed
US-4477450-A BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1984-10-16 US disclosed
EP-0121341-A1 Triazolo(4,3-c)pyrimidines and triazolo(1,5-c)pyrimidines substituted by nitrogen-containing heterocyclic rings RIKER LABORATORIES, INCORPORATED (US) 1984-10-10 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 (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-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 KDM4E 3169/4885HTT 3943/4885NPC1 1139/4885
US-20080132522-A1 2-Substituted Pyrimidines, Method for Their Production and Their Use for Controlling Pathogenic Fungi TYMS, TYMP, PNPO KDM4E 1488/4885HTT 3837/4885NPC1 3667/4885
US-20050282828-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, CBR1, CYP3A5 KDM4E 1747/4885HTT 4218/4885NPC1 2326/4885
US-20070208037-A1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES CBR3, NOX5, CBR1 KDM4E 1898/4885HTT 4154/4885NPC1 2387/4885
US-20050282847-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, NOX5, CBR1 KDM4E 2207/4885HTT 4163/4885NPC1 1946/4885
US-20090076047-A1 2-Substituted Hydroxylaminopyrimidine, Method for the Production and the Use Thereof in the Form of Pesticides DHFR, DPYD, DDT KDM4E 2523/4885HTT 686/4885NPC1 4676/4885

“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.