SCHEMBL2890929

SCHEMBL2890929

OCCNc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 1.00
MAPK13 O15264 1/20 0.74
MAPK12 P53778 1/20 0.74
MAPK11 Q15759 1/20 0.74
PRKD1 Q15139 1/20 0.71
TGFBR1 P36897 10/20 0.55
TGFBR2 P37173 7/20 0.55
MET P08581 1/20 0.43

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
SCHEMBL2887280 0.94 MAPK14 (0.94) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2883634 0.90 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2882983 0.89 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1993559 0.86 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2891138 0.85 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL12444981 0.85 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2891170 0.84 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2892846 0.81 TGFBR1 (0.80) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL27784832 0.80 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1994949 0.80 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11PRKD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-07-22 US claimed
EP-1025102-B1 BICYCLIC KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2004-05-19 EP claimed
US-20020013354-A1 p38 map kinase inhibitors CHENG SOAN (US) 2002-01-31 US claimed
US-20010044538-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2001-11-22 US claimed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US claimed
EP-1025102-A1 BICYCLIC KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-08-09 EP claimed
WO-1999020624-A1 BICYCLIC KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 1999-04-29 WO claimed
US-8084395-B2 4-aza indole derivatives and their use as fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-07-22 US disclosed
CN-101784191-A 4-aza indole derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG 2010-07-21 CN disclosed
EP-2136640-A2 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngeta Participations AG (CH) 2009-12-30 EP disclosed
WO-2008132434-A2 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-11-06 WO disclosed
EP-1025102-B1 BICYCLIC KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2004-05-19 EP disclosed
US-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-20030139462-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2003-07-24 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020013354-A1 p38 map kinase inhibitors CHENG SOAN (US) 2002-01-31 US disclosed
US-20010044538-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2001-11-22 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
CN-1279682-A bicyclic kinase inhibitors HOFFMANN LA ROCHE (CH) 2001-01-10 CN 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 (4 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-20020013354-A1 p38 map kinase inhibitors MAPK1, MAPK8, MAP3K1 MAPK14 31/4885MAPK13 33/4885MAPK12 35/4885
US-20030139462-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 MAPK14 31/4885MAPK13 33/4885MAPK12 35/4885
US-20010044538-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 MAPK14 31/4885MAPK13 33/4885MAPK12 35/4885
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES IDO1, INMT, AZI2 MAPK14 512/4885MAPK13 1175/4885MAPK12 1405/4885

“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.