SCHEMBL9895588

SCHEMBL9895588

Fc1ccc(-c2nn[nH]c2-c2c[nH]cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.38
MAPK9 P45984 3/20 0.38
MAPK11 Q15759 3/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
RAF1 P04049 1/20 0.38
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TGFBR1 P36897 2/20 0.32
CA12 O43570 1/20 0.32
ALPL P05186 1/20 0.32
RPA1 P27694 1/20 0.32
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
FRK P42685 1/20 0.31
GCGR P47871 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL464496 0.76 MAPK1 (0.40) MAPK14MAPK9MAPK11MAPK13MAPK12
SCHEMBL25220966 0.71 MAPK14 (0.57) MAPK14MAPK9MAPK11MAPK13MAPK12
SCHEMBL6626583 0.71 MAPK14 (0.57) MAPK14MAPK9MAPK11MAPK13MAPK12
SCHEMBL28327757 0.71 MAPK14 (0.49) MAPK14MAPK9MAPK11MAPK13MAPK12
SCHEMBL9894870 0.71 MAPK14 (0.40) MAPK14MAPK9MAPK11MAPK13MAPK12
SCHEMBL5387186 0.70 CSNK1D (0.45) MAPK9ALDH1A1SMN1; SMN2PRKD3MAP4K4
SCHEMBL1384144 0.68 SCN4A (0.53) ALDH1A1MAPTMEN1KMT2A
SCHEMBL28327758 0.68 PTGS1 (0.42) MAPK14MAPK9MAPK11MAPK13MAPK12
SCHEMBL2471849 0.67 PTGS2 (0.51) MAPK14MAPK9MAPK11BRD4CSNK1D
SCHEMBL23294592 0.67 ALPL (0.33) CA12ALPLRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466181-B2 1,2,3-triazole-imidazole compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-18 US disclosed
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-14 US disclosed
US-20120145241-A1 PHOTOVOLTAIC MODULE WITH STABILIZED POLYMERIC ENCAPSULANT BASF SE (DE) 2012-06-14 US 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-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS GABRA5, GABRA1, GABRB1 MAPK14 4554/4885MAPK9 4059/4885MAPK11 3318/4885

“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.