SCHEMBL5733650

SCHEMBL5733650

N#Cc1ccc(-c2nc3c(c(N4CCCCC4)n2)CCC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ACP1 P24666 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GBA1 P04062 2/20 0.39
EGLN2 Q96KS0 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HIF1A Q16665 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
SCHEMBL5735962 0.89 KDM4E (0.48) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL5733280 0.81 LMNA (0.57) MEN1KMT2AACP1ALDH1A1KDM4E
SCHEMBL5735026 0.80 ACHE (0.52) MEN1KMT2AACP1ALDH1A1KDM4E
SCHEMBL10150266 0.79 LMNA (0.56) MEN1KMT2AACP1TSHRUSP2
SCHEMBL10150259 0.77 MEN1 (0.55) MEN1KMT2ATSHRUSP2
SCHEMBL5733814 0.77 MAPK1 (0.43) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL5734419 0.75 MEN1 (0.42) MEN1KMT2AACP1GBA1
SCHEMBL6075299 0.74 NSD2 (0.46) MEN1KMT2AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL5734232 0.72 ADORA3 (0.56) MEN1KMT2AACP1HRH4ALDH1A1
SCHEMBL5734265 0.72 ADORA3 (0.55) MEN1KMT2AACP1HRH4ALDH1A1

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 4032/4885ACP1 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.