SCHEMBL5733403

SCHEMBL5733403

CCCCNc1nc(-c2cccc(Cl)c2)nc2c1CCC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.48
ACP1 P24666 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BCHE P06276 4/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
LMNA P02545 2/20 0.40
PDE4B Q07343 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
SCHEMBL5733334 0.89 ACHE (0.44) ACHEACP1HPGDNPSR1BCHE
SCHEMBL5733238 0.86 PDE4B (0.48) SMN1; SMN2HPGDMEN1MAPTKMT2A
SCHEMBL5733452 0.86 ACHE (0.47) ACHEACP1HPGDNPSR1BCHE
SCHEMBL15661540 0.85 PDE4B (0.52) ACHESMN1; SMN2BCHEMEN1MAPT
SCHEMBL5733523 0.82 BCHE (0.54) ACHEBCHEMAPTMAPK1LMNA
Hydrochloric Acid SCHEMBL5733931 0.81 BCHE (0.54) ACHEBCHEMAPTMAPK1LMNA
SCHEMBL5733104 0.80 TLR9 (0.47) ACHEACP1HPGDNPSR1BCHE
SCHEMBL5732648 0.80 ACHE (0.46) ACHEBCHEMAPT
SCHEMBL24725856 0.79 PDE4B (0.56) ACHEPDE4B
SCHEMBL5733876 0.78 MEN1 (0.45) ACHESMN1; SMN2BCHEMEN1KMT2A

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 2736/4885ACP1 353/4885SMN1; SMN2 3475/4885

“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.