SCHEMBL3889529

SCHEMBL3889529

CSc1ccc(-c2nc(-c3cccc(C)c3)c(-c3ccncc3)s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.69
ALOX5 P09917 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
PTGS2 P35354 1/20 0.44
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
CFTR P13569 1/20 0.41

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
SCHEMBL6504993 0.89 MAPK14 (0.54) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL3887579 0.87 MAPK14 (0.70) MAPK14
SCHEMBL3894152 0.87 MAPK14 (0.54) MAPK14ALOX5PTGS2CFTR
SCHEMBL3889474 0.86 MAPK14 (0.61) MAPK14
SCHEMBL3889890 0.85 MAPK14 (0.62) MAPK14
SCHEMBL6501754 0.85 MAPK14 (0.50) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL6284207 0.81 MAPK14 (0.69) MAPK14PTGS2CSNK1DCSNK1E
SCHEMBL6280887 0.81 MAPK14 (1.00) MAPK14PTGS2
SCHEMBL6505614 0.80 PTGS2 (0.66) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL6505966 0.80 PTGS2 (0.50) MAPK14ALOX5MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO claimed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP claimed
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
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
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO 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
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US 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 (3 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 MAPK14 50/4885ALOX5 586/4885MAPK13 72/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 MAPK14 31/4885ALOX5 4427/4885MAPK13 32/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 MAPK14 29/4885ALOX5 1251/4885MAPK13 50/4885

“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.