SCHEMBL1768557

SCHEMBL1768557

NCc1noc(-c2c3cc(F)ccc3nn2CCn2ccnc2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.49
CYP2D6 P10635 3/20 0.49
SCN8A Q9UQD0 4/20 0.49
SCN5A Q14524 3/20 0.49
SCN9A Q15858 3/20 0.49
SCN1A P35498 2/20 0.49
SCN4A P35499 2/20 0.49
SCN2A Q99250 2/20 0.49
SCN3A Q9NY46 2/20 0.49
SCN10A Q9Y5Y9 2/20 0.49
CYP19A1 P11511 5/20 0.38
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
CYP3A4 P08684 1/20 0.34
NAMPT P43490 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1768561 0.88 CYP1A2 (0.49) CYP1A2CYP2D6SCN8ASCN5ASCN9A
SCHEMBL11896968 0.86 CYP1A2 (0.65) CYP1A2CYP2D6SCN8ASCN5ASCN9A
Ammonia Solution, Strong SCHEMBL1768336 0.85 CYP1A2 (0.64) CYP1A2CYP2D6SCN8ASCN5ASCN9A
SCHEMBL11896966 0.85 SCN8A (0.59) CYP1A2CYP2D6SCN8ASCN5ASCN9A
SCHEMBL1768241 0.82 SCN8A (0.48) CYP1A2CYP2D6SCN8ASCN5ASCN9A
SCHEMBL12649180 0.81 SCN1A (0.58) CYP1A2CYP2D6SCN8ASCN5ASCN9A
SCHEMBL11896967 0.80 SCN5A (0.44) CYP1A2CYP2D6SCN8ASCN5ASCN9A
SCHEMBL1768407 0.78 SCN8A (0.43) CYP1A2CYP2D6SCN8ASCN5ASCN9A
SCHEMBL1768441 0.77 CYP1A2 (0.45) CYP1A2CYP2D6SCN8ASCN5ASCN9A
SCHEMBL1768419 0.77 SCN1A (0.58) SCN8ASCN5ASCN9ASCN1ASCN4A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283295-A1 INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2012-11-08 US disclosed
US-20120283295-A1 INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2012-11-08 US disclosed
US-20120283295-A1 INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2012-11-08 US disclosed
EP-2483270-A1 INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2012-08-08 EP disclosed
WO-2011061469-A1 INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2011-05-26 WO disclosed
WO-2011061469-A1 INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2011-05-26 WO 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-20120283295-A1 INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS SCN3A, CACNB3, CACNA1B CYP1A2 874/4885CYP2D6 2300/4885SCN8A 103/4885

“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.