SCHEMBL2446689

SCHEMBL2446689

[NaH].c1cnc2nc[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.44
METAP1 P53582 2/20 0.43
METAP2 P50579 1/20 0.43
PDE5A O76074 2/20 0.40
AURKA O14965 4/20 0.39
PSMD14 O00487 1/20 0.38
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 0.36
PARP1 P09874 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
SCHEMBL29371691 0.98
SCHEMBL41738 0.98
SCHEMBL31249060 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PDE5AAURKA
Hydrochloric Acid SCHEMBL1813549 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PDE5AAURKA
SCHEMBL29088005 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PDE5AAURKA
Hydrochloric Acid SCHEMBL12003889 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PDE5AAURKA
Hydrochloric Acid SCHEMBL4664431 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PDE5AAURKA
Iodide SCHEMBL900009 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PDE5AAURKA
SCHEMBL31365934 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PDE5AAURKA
SCHEMBL28779758 0.95 NUDT1 (0.44) NUDT1METAP1METAP2PDE5AAURKA

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 NUDT1 1810/4885METAP1 1424/4885METAP2 1713/4885

“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.