SCHEMBL2363782

SCHEMBL2363782

CCCCCc1ccc2c(n1)C(N)CCO2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
EDNRB P24530 3/20 0.39
EDNRA P25101 3/20 0.39
SPHK1 Q9NYA1 2/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 0.31
LTB4R Q15722 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL2363395 0.74 KCNH2 (0.41) KCNH2EDNRBEDNRASPHK1
SCHEMBL24423806 0.73 RAB9A (0.33) EDNRBEDNRA
SCHEMBL11855735 0.69 KCNH2 (0.36) KCNH2EDNRBEDNRACCNT1CDK7
SCHEMBL12807108 0.69 KCNH2 (0.42) KCNH2
SCHEMBL12807123 0.68 KCNH2 (0.41) KCNH2
SCHEMBL12807166 0.66 CYP11B2 (0.39) KCNH2EDNRBEDNRALTB4R
SCHEMBL29028490 0.65 KCNH2 (0.61) KCNH2LTB4R
SCHEMBL30459461 0.65 KCNH2 (0.61) KCNH2LTB4R
SCHEMBL8172614 0.65 ITGAV (0.38) KCNH2
SCHEMBL31026592 0.64 KCNH2 (0.64) KCNH2LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
EP-2350051-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010056549-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-05-20 WO 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-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 KCNH2 3453/4885EDNRB 1356/4885EDNRA 1243/4885

“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.