SCHEMBL5733352

SCHEMBL5733352

COc1ccc(-c2nc3c(c(NC4CCCCC4)n2)CCC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PDE5A O76074 2/20 0.43
ACP1 P24666 2/20 0.43
HRH2 P25021 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTR6 P50406 1/20 0.43
ALOX5 P09917 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
IGF1R P08069 1/20 0.42
MERTK Q12866 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BLM P54132 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL5732453 0.99 ADORA3 (0.46) ADORA3ADORA2AADORA1PDE5AACP1
SCHEMBL6075443 0.96 HRH2 (0.47) ADORA3ADORA2AADORA1PDE5AACP1
SCHEMBL6077052 0.87 HRH2 (0.44) ADORA3ADORA2AADORA1HRH2HRH3
SCHEMBL6077050 0.87 HRH2 (0.44) ADORA3ADORA2AADORA1HRH2HRH3
SCHEMBL5734979 0.86 PDE5A (0.46) ADORA3ADORA2AADORA1PDE5AACP1
SCHEMBL5733788 0.86 HPGD (0.50) ALOX5KDM4EALDH1A1GAAMEN1
SCHEMBL5732654 0.85 ACP1 (0.45) ADORA3ADORA2AADORA1PDE5AACP1
SCHEMBL5733203 0.85 KDM4E (0.51) ALOX5KDM4EALDH1A1MEN1KMT2A
SCHEMBL6076928 0.84 PDE5A (0.46) ADORA3ADORA2AADORA1PDE5AACP1
SCHEMBL6077112 0.84 HPGD (0.50) ALOX5KDM4EALDH1A1GAAMEN1

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-7138398-B2 Substituted 4-amino-2-arylcyclopenta[d]pyrimidines, their preparation, their use and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-21 US claimed
EP-1131302-B1 SUBSTITUTED 4-AMINO-2-ARYL-CYCLOPENTA [D]PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2006-02-01 EP claimed
US-7138398-B2 Substituted 4-amino-2-arylcyclopenta[d]pyrimidines, their preparation, their use and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-21 US disclosed
EP-1131302-B1 SUBSTITUTED 4-AMINO-2-ARYL-CYCLOPENTA [D]PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2006-02-01 EP disclosed
US-20040048850-A1 Substituted 4-amino-2-arylcyclopenta[d]pyrimidines, their preparation, their use and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2004-03-11 US disclosed
US-6627628-B1 Cardiovascular diseases such as hypertension, angina pectoris, heart failure, thrombosis and atherosclerosis. The compounds of formula (I) are able to modulate the body's own production of cyclic guanosine monophosphate (cGMP) and are suitable for AVENTIS PHARMA DEUTSCHLAND, GMBH (DE) 2003-09-30 US disclosed
EP-1131302-A1 SUBSTITUTED 4-AMINO-2-ARYL-CYCLOPENTA D]PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICALREPARATIONS CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2001-09-12 EP disclosed
WO-2000031047-A1 SUBSTITUTED 4-AMINO-2-ARYL-CYCLOPENTA[D]PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICALREPARATIONS CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-06-02 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-20040048850-A1 Substituted 4-amino-2-arylcyclopenta[d]pyrimidines, their preparation, their use and pharmaceutical preparations comprising them PDE3A, PDE2A, NPR1 ADORA3 9/4885ADORA2A 16/4885ADORA1 7/4885

“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.