SCHEMBL5733949

SCHEMBL5733949

Clc1cccc(-c2nc3c(c(N4CCSCC4)n2)CCC3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.46
ADORA1 P30542 2/20 0.46
ADORA2B P29275 1/20 0.46
ALDH1A1 P00352 6/20 0.44
NPSR1 Q6W5P4 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PIK3CA P42336 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 3/20 0.41
LMNA P02545 3/20 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
SCHEMBL5734265 0.90 ADORA3 (0.55) ADORA3ADORA1ADORA2BALDH1A1NPSR1
Hydrochloric Acid SCHEMBL5734232 0.88 ADORA3 (0.56) ADORA3ADORA1ADORA2BALDH1A1NPSR1
SCHEMBL5733333 0.86 KDM4E (0.56) ADORA3ADORA1ADORA2BALDH1A1NPSR1
SCHEMBL5733267 0.85 CYP1A2 (0.53) ADORA3ADORA1ALDH1A1NPSR1CYP1A2
SCHEMBL5742540 0.78 MEN1 (0.47) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL5732452 0.77 KDM4E (0.49) ALDH1A1NPSR1CYP1A2CYP2C19HPGD
SCHEMBL10150269 0.77 PRKCI (0.48) MAPTMEN1KMT2ALMNATSHR
SCHEMBL5734419 0.76 MEN1 (0.42) ADORA3ADORA1ADORA2BMEN1KMT2A
SCHEMBL5734396 0.75 PDE4B (0.47) ALDH1A1CYP1A2CYP2C19HPGDKDM4E
SCHEMBL6076679 0.74 KDM4E (0.49) ALDH1A1NPSR1HPGDKDM4EMAPT

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 ADORA3 9/4885ADORA1 7/4885ADORA2B 19/4885

“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.