SCHEMBL23780649

SCHEMBL23780649

Nc1ccc(Nc2nccc(N)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.72
KCNH2 Q12809 9/20 0.62
SCN5A Q14524 9/20 0.62
SYK P43405 1/20 0.53
PLK4 O00444 1/20 0.53
AURKA O14965 2/20 0.52
CDK1 P06493 1/20 0.52
CDK4 P11802 1/20 0.52
CDK2 P24941 1/20 0.52
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52
IKBKB O14920 1/20 0.52
RAD52 P43351 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL18594621 0.85 SCN9A (0.67) SCN9AKCNH2SCN5APLK4AURKA
SCHEMBL27819569 0.84 SCN9A (0.67) SCN9AKCNH2SCN5AAURKACDK1
SCHEMBL12346572 0.83 SCN9A (0.60) SCN9AKCNH2SCN5ASYK
Hydrochloric Acid SCHEMBL28306332 0.83 SCN9A (0.71) SCN9AKCNH2SCN5AAURKACDK1
SCHEMBL12346576 0.82 SCN9A (0.64) SCN9AKCNH2SCN5ASYKAURKA
SCHEMBL19575358 0.81 AURKA (0.57) SCN9AKCNH2SCN5ASYKPLK4
SCHEMBL10177401 0.81 SCN9A (0.84) SCN9AKCNH2SCN5ASYKCDK4
SCHEMBL14878933 0.81 SCN9A (0.62) SCN9AKCNH2SCN5AAURKACDK1
SCHEMBL10187336 0.81 SCN9A (0.71) SCN9AKCNH2SCN5AIKBKBMEN1
Hydrochloric Acid SCHEMBL12813129 0.80 SCN9A (0.60) SCN9AKCNH2SCN5ASYKPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276960-A1 INHIBITORS OF TISSUE TRANSGLUTAMINASE 2 (TG2) AND USES THEREOF NORTHWESTERN UNIVERSITY 2021-09-09 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-20210276960-A1 INHIBITORS OF TISSUE TRANSGLUTAMINASE 2 (TG2) AND USES THEREOF TGM2, TGM3, TGM6 SCN9A 4248/4885KCNH2 4781/4885SCN5A 4500/4885

“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.