SCHEMBL4473122

SCHEMBL4473122

Oc1ccc(CSc2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 1.00
MAPK13 O15264 8/20 0.72
MAPK12 P53778 8/20 0.72
MAPK11 Q15759 8/20 0.72
KDM4E B2RXH2 1/20 0.62
CIT O14578 1/20 0.62
GAK O14976 1/20 0.62
RIPK2 O43353 1/20 0.62
BRD4 O60885 1/20 0.62
GMNN O75496 1/20 0.62
PRKD3 O94806 1/20 0.62
MAP4K4 O95819 1/20 0.62
ALDH1A1 P00352 1/20 0.62
EGFR P00533 1/20 0.62
LMNA P02545 1/20 0.62
RAF1 P04049 1/20 0.62
CYP1A2 P05177 1/20 0.62
IGF1R P08069 1/20 0.62
CYP3A4 P08684 1/20 0.62
ROS1 P08922 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
SCHEMBL4467677 0.88 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6107670 0.87 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6581827 0.86 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6581558 0.84 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4106398 0.84 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6581506 0.84 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6581592 0.84 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL4478114 0.83 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4466771 0.82 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL4455278 0.81 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11

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 MAPK14 3841/4885MAPK13 3803/4885MAPK12 3533/4885

“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.