SCHEMBL5733452

SCHEMBL5733452

CCCCNc1nc(-c2ccc(Cl)cc2)nc2c1CCC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
TLR9 Q9NR96 1/20 0.46
ACP1 P24666 1/20 0.44
SLC2A1 P11166 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LATS1 O95835 1/20 0.41
LATS2 Q9NRM7 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
BCHE P06276 1/20 0.40

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
SCHEMBL5733104 0.89 TLR9 (0.47) ACHETLR9ACP1POLBUSP1
SCHEMBL5733334 0.88 ACHE (0.44) ACHETLR9ACP1MEN1KMT2A
SCHEMBL5733403 0.86 ACHE (0.48) ACHEACP1MEN1KMT2AUSP1
SCHEMBL5733740 0.86 ACHE (0.53) ACHETLR9ACP1POLBBCHE
SCHEMBL5733190 0.85 MEN1 (0.47) ACHETLR9MEN1KMT2AKDM4E
SCHEMBL5733130 0.84 MEN1 (0.50) TLR9MEN1KMT2AKDM4EUSP1
Hydrochloric Acid SCHEMBL5734162 0.83 MEN1 (0.49) TLR9MEN1KMT2AKDM4EUSP1
SCHEMBL5734687 0.81 USP1 (0.47) TLR9ACP1MEN1KMT2AKDM4E
SCHEMBL5732648 0.81 ACHE (0.46) ACHEKDM4EMAPTBCHE
SCHEMBL5733420 0.78 ACHE (0.53) ACHETLR9ACP1MEN1KMT2A

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 ACHE 2736/4885TLR9 2339/4885ACP1 353/4885

“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.