SCHEMBL3173374

SCHEMBL3173374

NC(=O)c1[nH]c2sc(Sc3ccccc3)nc2c1Sc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.39
DHFR P00374 2/20 0.39
SIRT1 Q96EB6 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
TUBB4A P04350 4/20 0.35
TUBB P07437 4/20 0.35
TUBA3C P0DPH7 4/20 0.35
TUBA1B P68363 4/20 0.35
TUBA4A P68366 4/20 0.35
TUBB4B P68371 4/20 0.35
TUBB3 Q13509 4/20 0.35
TUBB2A Q13885 4/20 0.35
TUBB8 Q3ZCM7 4/20 0.35
TUBA3E Q6PEY2 4/20 0.35
TUBA1A Q71U36 4/20 0.35
TUBA1C Q9BQE3 4/20 0.35
TUBB6 Q9BUF5 4/20 0.35
TUBB2B Q9BVA1 4/20 0.35
TUBB1 Q9H4B7 4/20 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
SCHEMBL3188930 0.86 TYMS (0.44) TYMSDHFRSIRT1NCOA1NCOA3
SCHEMBL3177684 0.84 EDNRA (0.46) DHFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3269356 0.81 TYMS (0.35) TYMSDHFRSIRT1NCOA1NCOA3
SCHEMBL3183746 0.78 SIRT1 (0.40) TYMSDHFRSIRT1NCOA1NCOA3
SCHEMBL3183862 0.73 TYMS (0.43) TYMSDHFRTUBB4ATUBBTUBA3C
SCHEMBL3167815 0.73 TYMS (0.43) TYMSDHFRTUBB4ATUBBTUBA3C
SCHEMBL3184600 0.72 TUBB4A (0.48) DHFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3178775 0.72 TUBB4A (0.42) SIRT1NCOA1NCOA3TUBB4ATUBB
SCHEMBL2052754 0.71 TUBB4A (0.44) SIRT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3183920 0.69 RHEB (0.41) TYMSTUBB4ATUBBTUBA3CTUBA1B

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 TYMS 1758/4885DHFR 1774/4885SIRT1 1158/4885
US-20080227822-A1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK2A1, CSNK1E, CSNK1A1 TYMS 1855/4885DHFR 2002/4885SIRT1 1400/4885

“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.