SCHEMBL2447586

SCHEMBL2447586

[Na].c1cc2nc[nH]c2cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.50
QPCTL Q9NXS2 1/20 0.50
KDM4A O75164 1/20 0.48
KDM4B O94953 1/20 0.48
KDM5C P41229 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
KDM3A Q9Y4C1 1/20 0.48
PRKCI P41743 2/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
RAD52 P43351 1/20 0.42
AOC2 O75106 1/20 0.41
NAMPT P43490 2/20 0.40
MMP12 P39900 1/20 0.40
CYP3A4 P08684 1/20 0.39
XDH P47989 1/20 0.39
METAP1 P53582 2/20 0.39
METAP2 P50579 1/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL89868 0.98
SCHEMBL29837279 0.98
SCHEMBL27982386 0.96 QPCT (0.50) QPCTQPCTLKDM4AKDM4BKDM5C
SCHEMBL2447581 0.96 QPCT (0.50) QPCTQPCTLKDM4AKDM4BKDM5C
Hydrazine SCHEMBL3450713 0.94 QPCT (0.49) QPCTQPCTLKDM4AKDM4BKDM5C
SCHEMBL28135793 0.84 QPCT (0.49) QPCTQPCTLKDM4AKDM4BKDM5C
SCHEMBL29602491 0.80
SCHEMBL67119 0.80
Alanine SCHEMBL28113518 0.79 NAMPT (0.40) QPCTQPCTLKDM4AKDM4BKDM5C
Bromide SCHEMBL4711523 0.78 KDM4A (0.53) QPCTQPCTLKDM4AKDM4BKDM5C

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-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-08 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-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 QPCT 3251/4885QPCTL 4371/4885KDM4A 736/4885

“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.