SCHEMBL251386

SCHEMBL251386

CC(C)(O)c1ccc2nnc(S)n2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.38
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TNKS O95271 6/20 0.33
PARP1 P09874 6/20 0.33
TNKS2 Q9H2K2 6/20 0.33
ADORA3 P0DMS8 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PARP6 Q2NL67 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TIPARP Q7Z3E1 1/20 0.32
PARP8 Q8N3A8 1/20 0.32
PARP12 Q9H0J9 1/20 0.32
PARP11 Q9NR21 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRM2 Q14416 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
SCHEMBL9349085 0.71 RET (0.32) SCN5A
SCHEMBL24975703 0.69 TNKS (0.41) KDM4ETNKSPARP1TNKS2ADORA3
SCHEMBL251984 0.68 TSHR (0.43) ALDH1A1KDM4EPARP1PIK3CAMTOR
SCHEMBL23642122 0.68 SCN5A (0.42) SCN5AKDM4ECYP11B1CYP11B2MAPK14
SCHEMBL2539485 0.68 RET (0.31)
SCHEMBL24975699 0.68 TNKS (0.37) ALDH1A1TNKSPARP1TNKS2ADORA3
SCHEMBL936418 0.66 SCN5A (0.79) SCN5AKCNH2GRM2MAPK14
SCHEMBL17616515 0.66 SCN5A (0.47) SCN5AALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL16154717 0.64 PIM1 (0.50) SCN5AALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL23872947 0.63 SCN5A (0.42) SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130315895-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-28 US disclosed
EP-2588107-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET Takeda Pharmaceutical Company Limited (JP) 2013-05-08 EP disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed
WO-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed
EP-2313407-A1 cMET INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-04-27 EP disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20130315895-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET HGF, MET, HGFAC SCN5A 3809/4885ALDH1A1 3001/4885SMN1; SMN2 2559/4885
US-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT SCN5A 3685/4885ALDH1A1 3166/4885SMN1; SMN2 4131/4885

“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.