SCHEMBL9895679

SCHEMBL9895679

Cn1nnc(-c2ccccc2F)c1-c1cn(-c2ccc(C(=O)NC3(C)COC3)cn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
ABL1 P00519 2/20 0.34
DGAT2 Q96PD7 4/20 0.34
NTRK1 P04629 4/20 0.34
WNT3A P56704 2/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
RAB9A P51151 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
SCHEMBL9895436 0.87 GABRA5 (0.42) GABRA5HDAC3HDAC2ABL1DGAT2
SCHEMBL9896404 0.86 WNT3A (0.38) GABRA5HDAC3HDAC2WNT3A
SCHEMBL9947560 0.85 GABRA5 (0.40) GABRA5ABL1CYP1A2EGLN1
SCHEMBL9894861 0.84 PDE4B (0.43) GABRA5EGLN1
SCHEMBL9894568 0.84 GABRA5 (0.39) GABRA5HDAC3HDAC2NTRK1GLA
SCHEMBL9894802 0.84 MAPK14 (0.43) GABRA5
SCHEMBL9895028 0.84 GABRA5 (0.49) GABRA5DGAT2EGLN1
SCHEMBL9895430 0.84 GABRA5 (0.44) GABRA5HDAC3HDAC2GLAHTT
SCHEMBL9895060 0.83 KDM5A (0.36) EGLN1RAB9A
SCHEMBL9895403 0.83 RAB9A (0.45) RAB9A

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 1/4885HDAC3 433/4885HDAC2 1070/4885

“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.