SCHEMBL4468940

SCHEMBL4468940

CSc1nc(-c2ccnc(NC34CC5CC(CC(C5)C3)C4)c2)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.65
GSK3B P49841 4/20 0.64
GSK3A P49840 1/20 0.64
MAPK13 O15264 2/20 0.62
MAPK12 P53778 2/20 0.62
MAPK11 Q15759 2/20 0.62
EGFR P00533 1/20 0.62
KCNH2 Q12809 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
SCHEMBL4467730 0.85 MAPK14 (0.70) MAPK14GSK3BGSK3AMAPK13MAPK12
SCHEMBL4464856 0.81 MAPK14 (0.78) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL4464550 0.81 MAPK14 (0.92) MAPK14GSK3BGSK3A
SCHEMBL13713253 0.81 MAPK14 (0.67) MAPK14GSK3BGSK3A
SCHEMBL4466543 0.80 MAPK14 (0.75) MAPK14GSK3BGSK3A
SCHEMBL4462745 0.79 MAPK14 (0.90) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL4472640 0.79 MAPK14 (0.80) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL4471619 0.79 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4464544 0.78 MAPK14 (1.00) MAPK14GSK3BGSK3AMAPK13MAPK12
SCHEMBL4460588 0.78 MAPK14 (1.00) MAPK14GSK3BGSK3A

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-7582660-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics C-A-I-R BIOSCIENCES GMBH (DE) 2009-09-01 US disclosed
US-7582660-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics C-A-I-R BIOSCIENCES GMBH (DE) 2009-09-01 US disclosed
US-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE-GMBH (DE) 2006-10-19 US disclosed
EP-1539741-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-06-15 EP disclosed
WO-2004018458-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE-GMBH (DE) 2004-03-04 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 (1 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-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics IL2, TPMT, IFNG MAPK14 3841/4885GSK3B 4227/4885GSK3A 4481/4885

“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.