SCHEMBL5258591

SCHEMBL5258591

COc1cc2nc(-c3ccc(Cl)cc3)nc(Cl)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 1/20 0.55
DHPS P49366 1/20 0.48
KDM4E B2RXH2 1/20 0.47
STAT6 P42226 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KDR P35968 2/20 0.44
FLT1 P17948 1/20 0.44
NTSR1 P30989 1/20 0.43
EGFR P00533 2/20 0.43
CSF1R P07333 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
LMNA P02545 1/20 0.42
NR1I3 Q14994 1/20 0.42

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
SCHEMBL5262953 0.90 WHR1 (0.54) WHR1DHPSKDM4ESTAT6NPSR1
SCHEMBL16384708 0.88 WHR1 (0.52) WHR1DHPSKDM4ESTAT6NPSR1
SCHEMBL3976324 0.88 SLC2A1 (0.56) WHR1DHPSKDM4ESTAT6NPSR1
SCHEMBL10063506 0.88 WHR1 (0.52) WHR1DHPSKDM4ESTAT6NPSR1
SCHEMBL20771102 0.88 WHR1 (0.71) WHR1DHPSKDM4ESTAT6NPSR1
SCHEMBL29589069 0.88 WHR1 (0.71) WHR1DHPSKDM4ESTAT6NPSR1
SCHEMBL3469022 0.87 WHR1 (0.54) WHR1KDM4ESTAT6NPSR1KMT2A
SCHEMBL29589358 0.87 WHR1 (0.54) WHR1KDM4ESTAT6NPSR1KMT2A
SCHEMBL5258730 0.85 WHR1 (0.52) WHR1KDM4ESTAT6NPSR1KMT2A
SCHEMBL5261050 0.85 WHR1 (0.49) WHR1KDM4ESTAT6NPSR1KDR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640392-B1 SUBSTITUTED 4-(SELENOPHEN-2(OR 3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) 2015-01-07 EP disclosed
US-8815879-B2 Substituted 4-(selenophen-2(or-3)-ylamino)pyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (US) 2014-08-26 US disclosed
US-8815879-B2 Substituted 4-(selenophen-2(or-3)-ylamino)pyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (US) 2014-08-26 US disclosed
US-20130266563-A1 SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2013-10-10 US disclosed
US-20130266563-A1 SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2013-10-10 US disclosed
EP-2640392-A2 SUBSTITUTED 4-(SELENOPHEN-2(OR 3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) 2013-09-25 EP disclosed
CN-103221048-A Substituted 4- (selenophen-2 (or 3) -ylamino) pyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD 2013-07-24 CN disclosed
WO-2012066578-A2 SUBSTITUTED 4-(SELENOPHEN-2(OR 3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2012-05-24 WO disclosed
EP-1040101-B1 SUBSTITUTED 2-ARYL-4-AMINO-CHINAZOLINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-04-25 EP disclosed
US-6613772-B1 Drugs such as 2-(p-chlorophenyl-4-(4-hydroxybutyl)amino-6,7,8 -trimethoxyquinazoline used for activation of guanylate cyclase and modulation of cyclic guanosine monophosphate AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-02 US disclosed
EP-1040101-A1 SUBSTITUTED 2-ARYL-4-AMINO-CHINAZOLINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2000-10-04 EP disclosed
WO-1999032460-A1 SUBSTITUTED 2-ARYL-4-AMINO-CHINAZOLINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-01 WO 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-20130266563-A1 SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF RPS6, SULT1E1, SCLY WHR1 1848/4885DHPS 980/4885KDM4E 2187/4885

“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.