SCHEMBL5178587

SCHEMBL5178587

CC(=O)C1CNc2ccc(N)cc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
F12 P00748 17/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
F2 P00734 4/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL7144289 0.81 HTR1A (0.39) CHRNB2CHRNA4F12F2CA1
SCHEMBL4586631 0.80 EPHX2 (0.37) CHRNB2CHRNA4F12MEN1GAA
SCHEMBL5809094 0.72 PRKAB2 (0.39) CHRNB2CHRNA4MEN1GAAKMT2A
SCHEMBL13063110 0.70 CHRNB2 (0.39) CHRNB2CHRNA4MEN1GAAKMT2A
SCHEMBL5322624 0.69 MEN1 (0.34) MEN1GAAKMT2ASMN1; SMN2F2
SCHEMBL6625929 0.67 CHRNA1 (0.44) CHRNB2CHRNA4MEN1GAAKMT2A
SCHEMBL6627068 0.67 BACE1 (0.40) GAA
SCHEMBL1161682 0.67 PRKAB2 (0.40) CHRNB2CHRNA4MEN1KMT2ACA12
SCHEMBL16175447 0.67 CHRNB2 (0.36) CHRNB2CHRNA4F2
SCHEMBL13841872 0.66 SNCA (0.39) CHRNB2CHRNA4MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772305-B2 Substituted pyridinyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
EP-2668177-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2013-12-04 EP disclosed
US-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
WO-2012101013-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 WO disclosed
EP-1773828-A1 HETEROCYCLE -SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-04-18 EP disclosed
WO-2006010642-A1 HETEROCYCLE-SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-02-02 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-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS ADORA1, P2RY1, P2RY11 CHRNB2 2389/4885CHRNA4 1359/4885F12 510/4885

“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.