SCHEMBL4474856

SCHEMBL4474856

CSc1ccccc1CSc1nc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.70
MAPK13 O15264 7/20 0.70
MAPK12 P53778 7/20 0.70
MAPK11 Q15759 7/20 0.70
ALOX5 P09917 2/20 0.62
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
LCK P06239 1/20 0.52
RET P07949 1/20 0.52
PRKACA P17612 1/20 0.52
RPS6KB1 P23443 1/20 0.52
MATK P42679 1/20 0.52
FRK P42685 1/20 0.52
MAPK9 P45984 1/20 0.52
GCGR P47871 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
CSNK1G2 P78368 1/20 0.52

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
SCHEMBL6581283 0.85 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL4466771 0.85 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL4475813 0.84 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL4464747 0.83 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4467677 0.82 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4467395 0.81 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6581827 0.81 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL13712659 0.80 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL4460547 0.80 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL4466824 0.80 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11ALOX5

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-1112265-B1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2004-01-14 EP claimed
US-6432988-B1 RHEUMATIC DISEASES, (OSTEO)ARTHRITIS, CACHEXIA, INFLAMMATORY BOWEL DISEASE, TOXIC SHOCK SYNDROME, SEPSIS, CROHN*S DISEASE, PSORIASIS AND GOUT TREATMENT MERCKLE GMBH (DE) 2002-08-13 US claimed
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
EP-1112265-B1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2004-01-14 EP disclosed
US-6432988-B1 RHEUMATIC DISEASES, (OSTEO)ARTHRITIS, CACHEXIA, INFLAMMATORY BOWEL DISEASE, TOXIC SHOCK SYNDROME, SEPSIS, CROHN*S DISEASE, PSORIASIS AND GOUT TREATMENT MERCKLE GMBH (DE) 2002-08-13 US 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.