SCHEMBL4520322

SCHEMBL4520322

CCOC(=O)c1c(C(C)C)c(C#N)c(N)n1-c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 6/20 0.44
HPGD P15428 6/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 2/20 0.43
RXFP1 Q9HBX9 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
NPC1 O15118 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 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
SCHEMBL4532269 0.87 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL13920484 0.83 SMN1; SMN2 (0.39) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL4761421 0.82 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL4520363 0.78 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL6706191 0.72 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL291161 0.72 GAA (0.44) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL4523252 0.70 HTT (0.52) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL4506722 0.70 KDM4E (0.51) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL15004739 0.70 ALDH1A1 (0.76) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL4518839 0.68 SMN1; SMN2 (0.47) ALDH1A1MAPTKDM4EHPGDGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498334-B2 Pyrrolopyrimidines as phosphodiesterase VII inhibitors MERCK PATENT GMBH (DE) 2009-03-03 US disclosed
US-7498334-B2 Pyrrolopyrimidines as phosphodiesterase VII inhibitors MERCK PATENT GMBH (DE) 2009-03-03 US disclosed
US-7498334-B2 Pyrrolopyrimidines as phosphodiesterase VII inhibitors MERCK PATENT GMBH (DE) 2009-03-03 US disclosed
EP-1458722-B1 PYRROLOPYRIMIDINES AS PHOSPHODIESTERASE VII INHIBITORS MERCK PATENT GMBH (DE) 2008-10-15 EP disclosed
US-20050059686-A1 Pyrrolopyrimidines as phosphodiesterase vII inhibitors MERCK PATENT GESELLSCHAFT (DE) 2005-03-17 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-20050059686-A1 Pyrrolopyrimidines as phosphodiesterase vII inhibitors PDE5A, PDE3B, PDE4A ALDH1A1 1713/4885MAPT 4701/4885KDM4E 847/4885

“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.