SCHEMBL2889147

SCHEMBL2889147

COC(=O)CC(=O)Nc1cc(-c2[nH]c3cc(C)cnc3c2-c2ccc(F)cc2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.51
TGFBR1 P36897 8/20 0.49
TGFBR2 P37173 6/20 0.49
PRKD1 Q15139 1/20 0.49
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
GSK3B P49841 2/20 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
SCHEMBL2888728 0.77 MAPK14 (0.58) MAPK14PRKD1MAPK13MAPK12MAPK11
SCHEMBL17840645 0.76 TGFBR1 (0.78) TGFBR1TGFBR2
SCHEMBL30386354 0.76 MAPK14 (0.53) MAPK14TGFBR1TGFBR2PRKD1MAPK13
SCHEMBL25211067 0.76 MAPK14 (0.53) MAPK14TGFBR1TGFBR2PRKD1MAPK13
SCHEMBL2883272 0.75 MAPK14 (0.49) MAPK14TGFBR1TGFBR2PRKD1MAPK13
SCHEMBL2891077 0.75 MAPK14 (0.49) MAPK14TGFBR1TGFBR2PRKD1MAPK13
SCHEMBL2891806 0.75 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1999853 0.75 MAPK14 (0.53) MAPK14TGFBR1TGFBR2PRKD1MAPK13
SCHEMBL2892846 0.73 TGFBR1 (0.80) MAPK14TGFBR1TGFBR2PRKD1MAPK13
SCHEMBL17840902 0.73 TGFBR1 (0.78) TGFBR1TGFBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084395-B2 4-aza indole derivatives and their use as fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
US-8084395-B2 4-aza indole derivatives and their use as fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
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
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-07-22 US disclosed
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-07-22 US 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
WO-2008132434-A2 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-11-06 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-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES IDO1, INMT, AZI2 MAPK14 512/4885TGFBR1 2793/4885TGFBR2 3216/4885

“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.