SCHEMBL9894870

SCHEMBL9894870

Cn1nnc(-c2ccc(F)cc2)c1-c1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.40
MAPK13 O15264 5/20 0.36
MAPK12 P53778 5/20 0.36
MAPK11 Q15759 5/20 0.36
BRD4 O60885 3/20 0.34
MAP4K4 O95819 3/20 0.34
MAPK9 P45984 3/20 0.34
CSNK1A1 P48729 3/20 0.34
EGFR P00533 1/20 0.34
FRK P42685 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
MAP4K5 Q9Y4K4 2/20 0.33
RAF1 P04049 1/20 0.33
CDC7 O00311 1/20 0.33
DAPK3 O43293 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
PAK4 O96013 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL9895296 0.78 GRM2 (0.35) PIM1
SCHEMBL464496 0.74 MAPK1 (0.40) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL25224357 0.73 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL9895975 0.72 HSD11B1 (0.40)
SCHEMBL9895588 0.71 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL9894893 0.70 PTGS2 (0.40) KCNH2
SCHEMBL25045153 0.70 NPC1 (0.45) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL2471849 0.68 PTGS2 (0.51) MAPK14MAPK11BRD4MAPK9CSNK1D
SCHEMBL9894845 0.67 MAP4K4 (0.41) MAPK14MAP4K4FLT3CSNK1D
SCHEMBL9894928 0.67 MAPK14 (0.47) MAPK14MAP4K4KDM2BCSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649064-B1 NOVEL TRIAZOLE COMPOUNDS III HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
EP-2649064-A1 NOVEL TRIAZOLE COMPOUNDS III F. Hoffmann-La Roche AG (CH) 2013-10-16 EP disclosed
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
WO-2012076590-A1 NOVEL TRIAZOLE COMPOUNDS III F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 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-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS GABRA5, GABRA1, GABRB1 MAPK14 4554/4885MAPK13 4233/4885MAPK12 4689/4885

“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.