SCHEMBL16993493

SCHEMBL16993493

C[S+]([O-])c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)o2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.65
MAPK11 Q15759 2/20 0.65
MAPK13 O15264 1/20 0.65
GCGR P47871 1/20 0.65
MAPK12 P53778 1/20 0.65
EGFR P00533 1/20 0.48
MAPK9 P45984 1/20 0.48
PTGS1 P23219 1/20 0.42
PTGS2 P35354 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
SCHEMBL1387188 1.00 MAPK14 (0.65) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL7503500 0.90 MAPK14 (0.52) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL6695860 0.90 MAPK14 (0.52) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL19864312 0.82 MAPK14 (0.73) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL1387186 0.81 MAPK14 (0.71) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL1387412 0.79 MAPK14 (1.00) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL19868953 0.76 MAPK14 (0.64) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL9025437 0.76 PTGS2 (0.45) MAPK14MAPK11MAPK13GCGRMAPK12
Sb-203580 SCHEMBL146399 0.76 MAPK11 (0.75) MAPK14MAPK11MAPK13GCGRMAPK12
Sb-203580 SCHEMBL95208 0.76 MAPK11 (0.75) MAPK14MAPK11MAPK13GCGRMAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102207-B1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS AGENCY SCIENCE TECH & RES (SG) 2022-05-11 EP disclosed
US-10865384-B2 2,4,5-tri-substituted azole-based casein kinase 1 inhibitors as inducers for cardiomyogenesis AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-12-15 US disclosed
US-10865384-B2 2,4,5-tri-substituted azole-based casein kinase 1 inhibitors as inducers for cardiomyogenesis AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-12-15 US disclosed
US-20170166867-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-15 US disclosed
US-20170166867-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-15 US disclosed
US-20170166867-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-15 US disclosed
EP-3102207-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS Agency For Science, Technology And Research (SG) 2016-12-14 EP disclosed
WO-2015119579-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-08-13 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-10865384-B2 2,4,5-tri-substituted azole-based casein kinase 1 inhibitors as inducers for cardiomyogenesis CSNK1A1, CSNK1G1, CSNK2A1 MAPK14 241/4885MAPK11 372/4885MAPK13 234/4885
US-20170166867-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS CSNK1A1, CSNK1G1, CSNK2A1 MAPK14 241/4885MAPK11 372/4885MAPK13 234/4885

“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.