SCHEMBL9895487

SCHEMBL9895487

COC(=O)c1ccc(-n2cnc(-c3c(-c4ccc(F)cc4)nnn3C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.43
MAP2K4 P45985 1/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
HTT P42858 2/20 0.40
FGFR1 P11362 1/20 0.39
MAPK13 O15264 1/20 0.39
ALOX5 P09917 1/20 0.39
GCGR P47871 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAP4K4 O95819 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM5 P41594 1/20 0.38
PSEN1 P49768 2/20 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
SCHEMBL9894845 0.89 MAP4K4 (0.41) MAPK14PIK3CAMTORALOX5MAP4K4
SCHEMBL9894928 0.89 MAPK14 (0.47) MAPK14MAP2K4MAP4K4ALDH1A1CSNK1D
SCHEMBL9895019 0.88 MAP4K4 (0.53) MAPK14MAP4K4CSNK1D
SCHEMBL9894907 0.87 GABRA5 (0.44) MAPK14MAP4K4HPGDPSEN1PSEN2
SCHEMBL9894510 0.87 RAB9A (0.42) MAPK14MAP2K4PIK3CDPIK3CAMTOR
SCHEMBL27933718 0.82 MAPK1 (0.35) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL21416236 0.81 ALDH1A1 (0.43) MAPK14HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL9895619 0.81 GABRA5 (0.47) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL9894672 0.80 GABRA5 (0.55) HPGDCSNK1DKMT2AGABRA5
SCHEMBL27933710 0.80 GABRA5 (0.37) MAPK14MAP4K4ALDH1A1HPGDPSEN1

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 14 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 claimed
EP-2649064-A1 NOVEL TRIAZOLE COMPOUNDS III F. Hoffmann-La Roche AG (CH) 2013-10-16 EP claimed
US-8466181-B2 1,2,3-triazole-imidazole compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-18 US claimed
WO-2012076590-A1 NOVEL TRIAZOLE COMPOUNDS III F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO claimed
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-14 US claimed
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-8466181-B2 1,2,3-triazole-imidazole compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-18 US 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
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-14 US disclosed
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS HOFFMANN-LA ROCHE INC. 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 4554/4885MAP2K4 4659/4885PIK3CD 1091/4885

“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.