SCHEMBL9894693

SCHEMBL9894693

Cc1nnn(-c2ccccc2F)c1-c1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 17/20 0.39
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL9894893 0.78 PTGS2 (0.40) KMT2AMEN1
SCHEMBL12530244 0.72 KMT2A (0.50) KCNN4KMT2AHPGDMEN1PRNP
SCHEMBL9895296 0.69 GRM2 (0.35)
SCHEMBL9904098 0.67 PTGS2 (0.37) HPGD
SCHEMBL2687662 0.66 KCNN4 (0.49) KCNN4KMT2AHPGD
SCHEMBL2687696 0.66 KCNN4 (0.50) KCNN4KMT2AHPGD
SCHEMBL9895332 0.65 SPR (0.38)
SCHEMBL9895165 0.65 NPSR1 (0.45) KCNN4KMT2AHPGDMEN1
SCHEMBL38658489 0.65 IDO1 (0.47)
SCHEMBL1949016 0.65 IDO1 (0.47)

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
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 KCNN4 921/4885KMT2A 3752/4885HPGD 2178/4885

“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.