SCHEMBL2446692

SCHEMBL2446692

[NaH].c1cnc2[nH]cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AXL P30530 2/20 0.43
NUDT1 P36639 1/20 0.43
PARP1 P09874 4/20 0.41
PDPK1 O15530 1/20 0.41
CA12 O43570 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA9 Q16790 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
QPCT Q16769 1/20 0.40
QPCTL Q9NXS2 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
ACVR1 Q04771 1/20 0.37

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
SCHEMBL10759 0.98
SCHEMBL29431626 0.98
Ammonia Solution, Strong SCHEMBL8971987 0.95 MAPK1 (0.46) MAPK1ALDH1A1KDM4EGLAGAA
Hydrochloric Acid SCHEMBL29424070 0.95 MAPK1 (0.46) MAPK1ALDH1A1KDM4EGLAGAA
Formic Acid SCHEMBL29774382 0.86 KMT2A (0.42) MAPK1ALDH1A1KDM4EGLAGAA
SCHEMBL28135793 0.82 QPCT (0.49) MAPK1ALDH1A1KDM4EGLAGAA
Trifluoroacetic Acid SCHEMBL29858985 0.80 L3MBTL1 (0.40) MAPK1ALDH1A1KDM4EGLAGAA
SCHEMBL8653543 0.80 TLR8 (0.35) MAPK1ALDH1A1KDM4EGLAGAA
SCHEMBL1809684 0.78 KDM4E (0.33) MAPK1ALDH1A1KDM4EGLAGAA
SCHEMBL28135193 0.78 DAO (0.42) ALDH1A1KDM4EGLAGAAHPGD

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 MAPK1 2251/4885ALDH1A1 2666/4885KDM4E 1215/4885

“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.