SCHEMBL6095953

SCHEMBL6095953

CS(=O)(=O)OC1CCC(Nc2nc(-c3cc(Cl)cc(Cl)c3)nc3c2CCC3)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
IGF1R P08069 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
EHMT2 Q96KQ7 4/20 0.33
GPR119 Q8TDV5 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SGK1 O00141 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL6075334 0.88 SGK1 (0.36) CYP1A2CYP2C19IGF1RUSP2CYP3A4
SCHEMBL6095949 0.88 SGK1 (0.39) CYP1A2CYP2C19IGF1RUSP2CYP3A4
SCHEMBL6095947 0.88 SGK1 (0.39) CYP1A2CYP2C19IGF1RUSP2CYP3A4
SCHEMBL5732443 0.83 ADORA1 (0.40) IGF1RUSP2ALDH1A1SGK1MAPT
SCHEMBL5732447 0.83 ADORA1 (0.40) IGF1RUSP2ALDH1A1SGK1MAPT
SCHEMBL5732894 0.83 IGF1R (0.42) CYP1A2IGF1RKMT2APDE4B
SCHEMBL6076669 0.81 ADORA1 (0.40) IGF1RUSP2ALDH1A1SGK1MAPT
SCHEMBL6076663 0.81 ADORA1 (0.40) IGF1RUSP2ALDH1A1SGK1MAPT
SCHEMBL6075854 0.79 PDE5A (0.40) CYP1A2IGF1RKMT2A
SCHEMBL6075331 0.76 SGK1 (0.44) ALDH1A1SGK1MAPTHTTKMT2A

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 3 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
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

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 CYP1A2 376/4885CYP2C19 470/4885IGF1R 898/4885

“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.