SCHEMBL3187003

SCHEMBL3187003

Cc1cc(C)cc(Sc2c(C(N)=O)[nH]c3ccsc23)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
PARP1 P09874 1/20 0.34
MAPK8 P45983 1/20 0.34
PDPK1 O15530 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL3185243 0.89 KDR (0.41) PTGS2PARP1MAPK8
SCHEMBL3175728 0.88 PTGS2 (0.41) PTGS2
SCHEMBL3183760 0.85 MAP2 (0.39) PTGS2PARP1PDPK1MAPT
SCHEMBL3177019 0.83 TUBB4A (0.42) PTGS2
SCHEMBL3268889 0.81 MAPK8 (0.32) PARP1MAPK8PDPK1MAPT
SCHEMBL3182168 0.81 PTGS2 (0.39) PTGS2
SCHEMBL3174896 0.81 MAP2 (0.39) PTGS2PDPK1
SCHEMBL27694283 0.79 BRD4 (0.34) PARP1MAPK8
SCHEMBL3175305 0.79 TYMS (0.37) PTGS2PARP1MAPK8
SCHEMBL3168153 0.79 PTGS2 (0.41) PTGS2PARP1MAPK8

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-1784409-B1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2010-06-16 EP claimed
US-7393867-B2 Substituted thienopyrrole carboxylic acid amides, pyrrolothiazole carboxylic acid amides, and related analogs as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2008-07-01 US claimed
US-20070299112-A1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICAL INC. (US) 2007-12-27 US claimed
EP-1784409-A2 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON Aventis Pharmaceuticals, Inc. (US) 2007-05-16 EP claimed
WO-2006021000-A2 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMACEUTICALS INC. (US) 2006-02-23 WO claimed
EP-1784409-B1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2010-06-16 EP disclosed
US-7652046-B2 Substituted thienopyrrole carboxylic acid amides, pyrrolothiazole carboxylic acid amides, and related analogs as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2010-01-26 US disclosed
US-20080227822-A1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICAL INC. (US) 2008-09-18 US disclosed
US-7393867-B2 Substituted thienopyrrole carboxylic acid amides, pyrrolothiazole carboxylic acid amides, and related analogs as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2008-07-01 US disclosed
US-20070299112-A1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICAL INC. (US) 2007-12-27 US disclosed
EP-1784409-A2 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON Aventis Pharmaceuticals, Inc. (US) 2007-05-16 EP disclosed
WO-2006021000-A2 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMACEUTICALS INC. (US) 2006-02-23 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 (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-20070299112-A1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK1A1, CSNK1E, CSNK2A1 PTGS2 1409/4885PARP1 2963/4885MAPK8 1107/4885
US-20080227822-A1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK2A1, CSNK1E, CSNK1A1 PTGS2 1629/4885PARP1 3086/4885MAPK8 1393/4885

“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.