SCHEMBL2497924

SCHEMBL2497924

CN(C(c1cccnc1)c1cccnc1)C1(N2CCOc3ccccc32)C=CC=NC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
NUDT1 P36639 1/20 0.31
NAMPT P43490 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
NOTUM Q6P988 1/20 0.30
KCNA5 P22460 1/20 0.30

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
SCHEMBL2494384 0.67 NUDT1 (0.40) CYP11B1CYP11B2SLC22A12NUDT1NAMPT
SCHEMBL2492073 0.60 NUDT1 (0.43) CYP11B1CYP11B2SLC22A12NUDT1NAMPT
SCHEMBL2063380 0.58 KCNA5 (0.44) SLC22A12NUDT1KCNA5
SCHEMBL2494649 0.58 NUDT1 (0.41) CYP11B1CYP11B2SLC22A12NUDT1NAMPT
SCHEMBL17591685 0.57 CFTR (0.52) OPRM1OPRD1KCNA5
SCHEMBL23970127 0.57 CFTR (0.57) OPRM1OPRD1KCNA5
SCHEMBL27610248 0.56 NOTUM (0.49) SLC22A12NUDT1NOTUM
SCHEMBL4546585 0.56 NOTUM (0.51) NUDT1NOTUM
SCHEMBL24597109 0.54 SLC22A12 (0.44) CYP11B1CYP11B2SLC22A12NUDT1NOTUM
SCHEMBL29598502 0.53 NOTUM (0.56) CYP11B1CYP11B2NOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030332-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-10-04 US disclosed
US-20090069312-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-03-12 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-20090069312-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 CYP11B1 3175/4885CYP11B2 3141/4885SLC22A12 1458/4885

“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.