SCHEMBL5742540

SCHEMBL5742540

Cc1ccc(-c2nc3c(c(N4CCSCC4)n2)CCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.40
ACHE P22303 2/20 0.40
PRKCI P41743 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 1/20 0.39
APP P05067 1/20 0.38
BCHE P06276 1/20 0.38
MTOR P42345 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GBA1 P04062 1/20 0.37

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
SCHEMBL5733280 0.89 LMNA (0.57) MEN1KMT2ALMNAALDH1A1ACHE
SCHEMBL5733267 0.87 CYP1A2 (0.53) MEN1KMT2ALMNAALDH1A1PRKCI
SCHEMBL10150269 0.83 PRKCI (0.48) MEN1KMT2ALMNAPRKCI
SCHEMBL5733949 0.78 ADORA3 (0.46) MEN1KMT2ALMNAALDH1A1PRKCI
SCHEMBL5735026 0.74 ACHE (0.52) MEN1KMT2APKMLMNAALDH1A1
SCHEMBL10150251 0.72 RAB9A (0.48) KMT2ALMNAHTR2AHTR2CL3MBTL1
SCHEMBL5734981 0.72 ALDH1A1 (0.42) LMNAALDH1A1ACHECYP1A2CYP2C9
SCHEMBL2269571 0.72 ALDH1A1 (0.44) LMNAALDH1A1ACHECYP1A2CYP2C9
SCHEMBL5733650 0.72 MEN1 (0.44) MEN1KMT2AALDH1A1NPSR1GBA1
SCHEMBL5735841 0.72 PIK3CA (0.56) LMNAALDH1A1ACHENPSR1SMN1; SMN2

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 6 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 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 MEN1 3815/4885KMT2A 4032/4885PKM 1840/4885

“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.