SCHEMBL164073

SCHEMBL164073

CC(C)(C)c1cc(N)c(C(N)=O)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
BTK Q06187 2/20 0.46
CHUK O15111 2/20 0.44
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RAF1 P04049 5/20 0.40
MAPK14 Q16539 5/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 1/20 0.38
CDK8 P49336 1/20 0.37
CDK19 Q9BWU1 1/20 0.37

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
SCHEMBL14189999 0.85 RXFP1 (0.49) ALDH1A1MAPTRAF1MAPK14RXFP1
SCHEMBL2063091 0.85 RXFP1 (0.41) IKBKBCYP1A2CYP3A4CYP2C9BTK
SCHEMBL2062158 0.80 MAPK14 (0.50) IKBKBALDH1A1MAPTHDAC6RAF1
SCHEMBL173108 0.80 RAF1 (0.56) IKBKBMAPTRAF1MAPK14MAPK13
SCHEMBL1883586 0.76 MAPT (0.56) IKBKBCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL13315099 0.75 YEATS4 (0.50) ALDH1A1MAPTMAPK14KMT2A
SCHEMBL15943484 0.74 IKBKB (0.50) IKBKBCYP1A2CYP3A4CYP2C9BTK
SCHEMBL3246252 0.73 IKBKB (0.46) IKBKBALDH1A1MAPTRAF1MAPK14
SCHEMBL14365223 0.70 PDPK1 (0.32) ALDH1A1MAPTKMT2A
SCHEMBL12247521 0.69 IKBKB (0.56) IKBKBCYP1A2CYP3A4CYP2C9BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103313599-B Substituted 4- (arylamino) selenophenopyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD. (IN) 2016-03-23 CN disclosed
US-9090633-B2 Substituted 4-(arylamino) selenophenopyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2015-07-28 US disclosed
EP-2648509-B1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) 2015-04-29 EP disclosed
US-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-28 US disclosed
US-20130287767-A1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2013-10-31 US disclosed
EP-2648509-A2 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) 2013-10-16 EP disclosed
EP-2611812-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012077135-A2 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2012-06-14 WO disclosed
EP-2231652-B1 NOVEL 2-HETARYL THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Bayer Pharma AG (DE) 2012-05-30 EP disclosed
US-8148411-B2 2-hetarylthiazole-4-carboxamide derivatives, their preparation and use as pharmaceuticals BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-03 US disclosed
WO-2012030894-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
EP-2231652-A1 NOVEL 2-HETARYL THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-29 EP disclosed
US-20090203715-A1 NOVEL 2-HETARYLTHIAZOLE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS PHARMACEUTICALS BAYER SCHERING PHARMA AG (DE) 2009-08-13 US disclosed
WO-2009074246-A1 NOVEL 2-HETARYL THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO disclosed
EP-2070924-A1 New 2 hetarylthiazol-4-carboxylic acid derivatives, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 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 (3 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-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 IKBKB 668/4885CYP1A2 589/4885CYP3A4 719/4885
US-20090203715-A1 NOVEL 2-HETARYLTHIAZOLE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CNR2, CYP11B2, CYP2C19 IKBKB 1506/4885CYP1A2 14/4885CYP3A4 7/4885
US-20130287767-A1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF SELENOI, VHL, DPYD IKBKB 535/4885CYP1A2 441/4885CYP3A4 233/4885

“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.