SCHEMBL5735962

SCHEMBL5735962

N#Cc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MTOR P42345 7/20 0.45
AR P10275 1/20 0.44
GRIA1 P42261 1/20 0.44
TLR9 Q9NR96 1/20 0.43
ALDH1A1 P00352 6/20 0.43
HTT P42858 3/20 0.43
HPGD P15428 3/20 0.43
PIK3CA P42336 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PIK3CG P48736 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PIK3R1 P27986 2/20 0.41
RICTOR Q6R327 2/20 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
SCHEMBL5733650 0.89 MEN1 (0.44) KDM4EALDH1A1HTTHPGDNPSR1
SCHEMBL5735841 0.81 PIK3CA (0.56) KDM4EMTORGRIA1TLR9ALDH1A1
SCHEMBL10150263 0.80 LMNA (0.56) KDM4EMTORTLR9ALDH1A1HTT
SCHEMBL5733333 0.75 KDM4E (0.56) KDM4EMTORALDH1A1HTTHPGD
SCHEMBL1309526 0.75 PIK3CA (0.66) KDM4EMTORARALDH1A1PIK3CA
SCHEMBL5733814 0.74 MAPK1 (0.43) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL5733280 0.73 LMNA (0.57) KDM4EALDH1A1HPGDNPSR1LMNA
SCHEMBL8297550 0.72 PIK3CA (0.57) KDM4EMTORALDH1A1HPGDPIK3CA
SCHEMBL6075299 0.71 NSD2 (0.46) KDM4EALDH1A1HPGDNPSR1MAPK1
SCHEMBL10150246 0.70 METAP1 (0.61) MTORARNPSR1LMNAMAPK1

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 KDM4E 3302/4885MTOR 902/4885AR 2218/4885

“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.