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
SCHEMBL67119 0.80 — —
SCHEMBL29602491 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.

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