SCHEMBL2883272

SCHEMBL2883272

Cc1cnc2c(-c3ccc(F)cc3)c(-c3ccnc(N)c3)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.49
MAPK13 O15264 4/20 0.45
MAPK12 P53778 4/20 0.45
MAPK11 Q15759 4/20 0.45
MET P08581 2/20 0.45
PRKD1 Q15139 1/20 0.45
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
BUB1 O43683 1/20 0.40
TGFBR1 P36897 2/20 0.38
TGFBR2 P37173 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL2891077 0.86 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MET
SCHEMBL2891806 0.85 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MET
SCHEMBL25210685 0.81 TGFBR1 (0.45) METTLR9TLR8TLR7BUB1
SCHEMBL25207250 0.81 MET (0.44) MAPK14MAPK13MAPK12MAPK11MET
SCHEMBL2887303 0.78 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11MET
SCHEMBL2888728 0.78 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MET
SCHEMBL1992432 0.77 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MET
SCHEMBL17863813 0.76 MET (0.46) MAPK14METTLR9TLR8TLR7
SCHEMBL17863767 0.76 TGFBR1 (0.49) METTLR9TLR8TLR7BUB1
SCHEMBL17840942 0.76 TGFBR1 (0.48) MAPK14MAPK13MAPK12MAPK11MET

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 512/4885MAPK13 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.