SCHEMBL6282345

SCHEMBL6282345

Fc1ccc(-c2nc(-c3ccccc3)sc2-c2ccncc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.68
ALOX5 P09917 2/20 0.60
CDC7 O00311 7/20 0.57
DBF4 Q9UBU7 7/20 0.57
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
MAPK14 Q16539 3/20 0.54
MAPK10 P53779 1/20 0.54
PTGDR2 Q9Y5Y4 2/20 0.52
MAPK13 O15264 1/20 0.51
GCGR P47871 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51

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
SCHEMBL11287147 0.92 PTGS2 (0.74) PTGS2ALOX5PTGDR2
SCHEMBL11456658 0.91 CDC7 (0.67) PTGS2CDC7DBF4CCNE1CDK2
SCHEMBL6276676 0.85 PTGS2 (0.64) PTGS2ALOX5CDC7DBF4MAPK14
SCHEMBL6505614 0.83 PTGS2 (0.66) PTGS2ALOX5MAPK14MAPK13GCGR
SCHEMBL6276678 0.83 PTGS2 (0.62) PTGS2ALOX5MAPK14MAPK10MAPK13
SCHEMBL7832748 0.83 PTGS2 (0.66) PTGS2ALOX5MAPK14MAPK13GCGR
SCHEMBL9768642 0.82 ALDH1A1 (0.62) PTGS2ALOX5CDC7DBF4CCNE1
SCHEMBL7840831 0.81 PTGS2 (0.78) PTGS2ALOX5MAPK14
SCHEMBL7841916 0.81 PTGS2 (1.00) PTGS2MAPK14
SCHEMBL6276579 0.81 PTGS2 (0.63) PTGS2ALOX5CDC7DBF4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP claimed
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 PTGS2 57/4885ALOX5 586/4885CDC7 750/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 PTGS2 109/4885ALOX5 1251/4885CDC7 1288/4885

“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.