SCHEMBL4401388

SCHEMBL4401388

Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccnc1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.81
CDK2 P24941 10/20 0.81
CDK5 Q00535 11/20 0.79
CDK5R1 Q15078 11/20 0.79
CCNE1 P24864 1/20 0.75
NPC1 O15118 1/20 0.62
MAPT P10636 1/20 0.62
GSK3A P49840 1/20 0.62
GSK3B P49841 1/20 0.62
RAB9A P51151 1/20 0.62
MAPK14 Q16539 1/20 0.62
TDP1 Q9NUW8 1/20 0.62

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
SCHEMBL1248181 0.90 CDK2 (1.00) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL20142387 0.89 CCNA2 (0.81) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL7756972 0.89 CCNA2 (0.81) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL7757586 0.87 CCNA2 (0.82) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL4395888 0.87 CDK5 (0.80) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL4402949 0.86 CDK5 (0.70) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL25609793 0.86 CDK5 (0.74) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL20142395 0.86 CCNA2 (0.77) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL4398263 0.85 CDK5 (0.72) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL20142858 0.83 CCNA2 (0.72) CCNA2CDK2CDK5CDK5R1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829014-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-09-09 US disclosed
EP-2007393-B1 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS UNIV LOUISIANA STATE (US) 2013-08-21 EP disclosed
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers GIORDANO ANTHONY (US) 2012-11-08 US disclosed
US-8217037-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers B.V. PATEL PHARMACEUTICAL EDUCATION & RESEARCH DEVELOPMENT (PERD) CENTRE (IN) 2009-12-10 US 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-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB CCNA2 2213/4885CDK2 409/4885CDK5 732/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB CCNA2 2213/4885CDK2 409/4885CDK5 732/4885

“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.