SCHEMBL2735249

SCHEMBL2735249

Cc1ccc(C)c(Cc2nc(N3CCC(CCO)CC3)c(C#N)c(=O)[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 3/20 0.60
RAPGEF4 Q8WZA2 5/20 0.44
AKR1C3 P42330 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CA P42336 3/20 0.36
MTOR P42345 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE5A O76074 1/20 0.33
TYMP P19971 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL213042 0.89 PDE9A (0.69) PDE9ARAPGEF4AKR1C3ALDH1A1KDM4E
SCHEMBL2735247 0.89 PDE9A (0.47) PDE9ARAPGEF4GAAALDH1A1KDM4E
SCHEMBL214447 0.86 PDE9A (0.59) PDE9AAKR1C3ALDH1A1KDM4ETDP1
SCHEMBL2735246 0.85 RAPGEF4 (0.48) PDE9ARAPGEF4GAAALDH1A1KDM4E
SCHEMBL215586 0.82 PDE9A (0.67) PDE9AAKR1C3ALDH1A1SMN1; SMN2NPSR1
SCHEMBL2735211 0.82 PDE9A (0.67) PDE9AGAAALDH1A1KDM4ELMNA
SCHEMBL2735235 0.81 PDE9A (0.73) PDE9AALDH1A1KDM4EMEN1KMT2A
SCHEMBL2735139 0.80 PDE9A (0.58) PDE9AALDH1A1KDM4ETDP1PIK3CA
SCHEMBL2735250 0.80 RAPGEF4 (0.45) PDE9ARAPGEF4GAAALDH1A1KDM4E
SCHEMBL2735245 0.80 PDE9A (0.65) PDE9AGAAALDH1A1KDM4ETDP1

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 8 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

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 PDE9A 280/4885RAPGEF4 1231/4885AKR1C3 3372/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 PDE9A 280/4885RAPGEF4 1231/4885AKR1C3 3372/4885

“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.