SCHEMBL2447200

SCHEMBL2447200

COc1nccc2nc[nH]c12.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.49
MMP12 P39900 1/20 0.40
BRD4 O60885 1/20 0.38
LRRK2 Q5S007 6/20 0.36
QPCT Q16769 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
ABL1 P00519 1/20 0.35
RAD52 P43351 1/20 0.35
RIN1 Q13671 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP3A4 P08684 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
PRNP P04156 1/20 0.32

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
SCHEMBL14438026 0.72 MAOA (0.39) PDPK1MMP12BRD4LRRK2ALDH1A1
SCHEMBL2913910 0.70 PDPK1 (0.44) PDPK1MMP12QPCTQPCTLABL1
SCHEMBL18237587 0.69 LRRK2 (0.33) PDPK1MMP12BRD4LRRK2ALDH1A1
SCHEMBL13217492 0.68 DYRK1A (0.48) PDPK1ALDH1A1SMN1; SMN2ADORA3CYP3A4
SCHEMBL402483 0.68 PI4KA (0.45) PDPK1LRRK2RAD52ALDH1A1KDM4E
SCHEMBL1154855 0.68 PARP1 (0.35) PDPK1QPCTQPCTLRAD52ALDH1A1
SCHEMBL30568593 0.68 DYRK1A (0.48) PDPK1ALDH1A1SMN1; SMN2ADORA3CYP3A4
SCHEMBL9984011 0.68 HPGD (0.38) PDPK1MMP12HPGD
SCHEMBL3082549 0.68 ABL1 (0.54) MMP12BRD4ABL1RAD52RIN1
SCHEMBL986616 0.68 DRD1 (0.47) PDPK1MMP12BRD4LRRK2QPCT

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 PDPK1 1714/4885MMP12 2217/4885BRD4 577/4885

“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.