SCHEMBL2735152

SCHEMBL2735152

Cc1cccc(Cc2nc(N3CCC4(CC3)OCCO4)c(C#N)c(=O)[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 8/20 0.38
HIF1A Q16665 2/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
PDE9A O76083 3/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HCRTR1 O43613 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL2735140 0.90 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1HIF1A
SCHEMBL2735142 0.89 KDM4E (0.52) KDM4EKMT2ACCNE2CCNE1CDK2
SCHEMBL2735151 0.86 KDM4E (0.53) KDM4EMEN1KMT2ARXFP1ALDH1A1
SCHEMBL2735248 0.86 RAPGEF4 (0.41) KDM4EMEN1KMT2AALDH1A1PDE9A
SCHEMBL2735145 0.85 KDM4E (0.52) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL2735169 0.84 PDE9A (0.45) KDM4EMEN1KMT2AALDH1A1HIF1A
SCHEMBL2735214 0.83 ALDH1A1 (0.40) KDM4EMEN1KMT2AALDH1A1HIF1A
SCHEMBL2735144 0.83 KDM4E (0.49) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL212270 0.82 PNP (0.38) KDM4EMEN1KMT2AALDH1A1MAPK8
SCHEMBL2735149 0.82 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431573-B2 Cyanopyrimidinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-30 US disclosed
US-8431573-B2 Cyanopyrimidinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-30 US disclosed
US-8088769-B2 e.g. 2-(3,4-Dichlorophenyl)ethanamidine hydrochloride; phosphodiesterases inhibitor; learning enhancement, cognition activator; improving perception, concentration, or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-03 US disclosed
US-8088769-B2 e.g. 2-(3,4-Dichlorophenyl)ethanamidine hydrochloride; phosphodiesterases inhibitor; learning enhancement, cognition activator; improving perception, concentration, or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-03 US disclosed
US-20110207735-A1 CYANOPYRIMIDINONES HENDRIX MARTIN 2011-08-25 US disclosed
US-20110207735-A1 CYANOPYRIMIDINONES HENDRIX MARTIN 2011-08-25 US disclosed
US-20080255118-A1 Cyanopyrimidinones BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255118-A1 Cyanopyrimidinones BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
WO-2006125554-A1 USE OF CYANOPYRIMIDINES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2006-11-30 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 (2 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-20080255118-A1 Cyanopyrimidinones CACYBP, CHRM4, CHRNA4 KDM4E 1288/4885MEN1 2603/4885KMT2A 3830/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 KDM4E 1288/4885MEN1 2603/4885KMT2A 3830/4885

“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.