SCHEMBL9896773

SCHEMBL9896773

Cc1nnn(-c2ccccc2F)c1-c1cn(-c2ccc(C(=O)NC(C)C)cn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.37
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
SPR P35270 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
EGLN1 Q9GZT9 3/20 0.34
GABRA1 P14867 1/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
GCG P01275 1/20 0.33
SCN9A Q15858 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
SCHEMBL9894897 0.89 MAPT (0.43) SPRKMT2AMEN1
SCHEMBL9895332 0.87 SPR (0.38) SPRPSEN1PSEN2APH1BNCSTN
SCHEMBL9895495 0.87 SPR (0.37) SPR
SCHEMBL9894926 0.86 RIPK2 (0.44)
SCHEMBL9895133 0.86 GABRA5 (0.43) GABRA5GRM1PSEN1PSEN2APH1B
SCHEMBL9895387 0.85 CNR2 (0.40) GABRA5GLAHTTSPR
SCHEMBL9894508 0.84 CYP2C9 (0.44) GABRA5EGLN1SCN9A
SCHEMBL9894812 0.84 MAPK8 (0.40) GABRA5GAA
SCHEMBL9895824 0.84 GABRA5 (0.39) GABRA5GLAHTTSPR
SCHEMBL9895791 0.83 GABRA5 (0.42) GABRA5EGLN1GABRA1

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-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-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
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

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 GABRA5 1/4885GRM5 36/4885GRM1 112/4885

“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.