SCHEMBL5734979

SCHEMBL5734979

Cc1ccc(-c2nc3c(c(NC4CCCCC4)n2)CCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.46
ACP1 P24666 2/20 0.46
IGF1R P08069 2/20 0.44
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
LATS1 O95835 1/20 0.41
LATS2 Q9NRM7 1/20 0.41
ALOX5 P09917 1/20 0.39
PDE4B Q07343 1/20 0.38
GBA1 P04062 2/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 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
SCHEMBL5732654 0.99 ACP1 (0.45) PDE5AACP1IGF1RADORA1ADORA3
SCHEMBL6076928 0.97 PDE5A (0.46) PDE5AACP1IGF1RADORA1ADORA3
SCHEMBL6076160 0.96 ACP1 (0.45) PDE5AACP1IGF1RADORA1ADORA3
SCHEMBL6075371 0.94 IGF1R (0.42) PDE5AACP1IGF1RADORA1ADORA3
SCHEMBL6075144 0.92 ACP1 (0.42) PDE5AACP1IGF1RADORA1ADORA3
SCHEMBL5732457 0.89 ADORA1 (0.47) PDE5AACP1IGF1RADORA1ADORA3
SCHEMBL5732459 0.89 ADORA1 (0.47) PDE5AACP1IGF1RADORA1ADORA3
SCHEMBL6075770 0.88 ADORA1 (0.45) ACP1IGF1RADORA1PDE4BGBA1
SCHEMBL6075878 0.86 ADORA1 (0.47) PDE5AACP1IGF1RADORA1ADORA3
SCHEMBL6075874 0.86 ADORA1 (0.47) PDE5AACP1IGF1RADORA1ADORA3

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 PDE5A 8/4885ACP1 353/4885IGF1R 898/4885

“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.