SCHEMBL4470689

SCHEMBL4470689

S=c1[nH]c(-c2ccccc2)c(-c2ccncc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
MAPK14 Q16539 6/20 0.53
MAPK13 O15264 5/20 0.53
MAPK12 P53778 5/20 0.53
MAPK11 Q15759 5/20 0.53
RAF1 P04049 4/20 0.53
MAPK9 P45984 1/20 0.53
CDK2 P24941 2/20 0.50
AURKA O14965 1/20 0.50
CDK1 P06493 1/20 0.50
LYN P07948 1/20 0.50
PIM1 P11309 1/20 0.50
FGFR1 P11362 1/20 0.50
PRKACA P17612 1/20 0.50
RPS6KB1 P23443 1/20 0.50
MARK3 P27448 1/20 0.50
AKT1 P31749 1/20 0.50
GSK3B P49841 1/20 0.50
RPS6KA3 P51812 1/20 0.50
PRKCZ Q05513 1/20 0.50

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
SCHEMBL7038229 0.87 ALDH1A1 (0.56)
SCHEMBL4462710 0.80 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL1150867 0.80 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4461255 0.80 GCGR (0.58) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL124353 0.74 NOTUM (1.00) NOTUMMAPK14MAPK13MAPK12MAPK11
SCHEMBL1312790 0.74 NOTUM (1.00) NOTUMMAPK14MAPK13MAPK12MAPK11
SCHEMBL443953 0.71 NOTUM (0.94) NOTUMMAPK14MAPK13MAPK12MAPK11
SCHEMBL31621359 0.71 NOTUM (0.94) NOTUMMAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL3862741 0.71 NOTUM (0.94) NOTUMMAPK14MAPK13MAPK12MAPK11
SCHEMBL29245408 0.71 NOTUM (0.94) NOTUMMAPK14MAPK13MAPK12MAPK11

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 4 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-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 NOTUM 3534/4885MAPK14 3841/4885MAPK13 3803/4885

“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.