SCHEMBL2687696

SCHEMBL2687696

Cc1nnn(-c2ccccc2F)c1CO

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 18/20 0.50
NOTUM Q6P988 1/20 0.48
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL30111763 0.80 BRD4 (0.41) NOTUMKMT2A
SCHEMBL24034889 0.80 BRD4 (0.41) NOTUMKMT2A
SCHEMBL30111768 0.80 BRD4 (0.41) NOTUMKMT2A
SCHEMBL12530244 0.78 KMT2A (0.50) KCNN4HPGDKMT2A
SCHEMBL29848689 0.78 NOTUM (0.51) KCNN4NOTUM
SCHEMBL2683661 0.74 PTGS2 (0.49) NOTUM
SCHEMBL9895165 0.74 NPSR1 (0.45) KCNN4NOTUMHPGDKMT2A
SCHEMBL9894573 0.73 KCNN4 (0.41) KCNN4NOTUMHPGDKMT2A
SCHEMBL2687662 0.72 KCNN4 (0.49) KCNN4HPGDKMT2A
SCHEMBL2217305 0.71 HTT (0.46) KCNN4NOTUMKMT2A

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-2638029-B1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8742097-B2 Triazole compounds I HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
EP-2638029-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
WO-2012062687-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
US-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I ROCHE PALO ALTO LLC 2012-05-10 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-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I GABRA5, GABRA3, GABRA1 KCNN4 957/4885NOTUM 2314/4885HPGD 2458/4885

“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.