SCHEMBL6767355

SCHEMBL6767355

O=C(O)C=C1CCC(c2nc(NCc3ccc(Cl)c(Cl)c3)c3c(n2)sc2ccccc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.36
PDE10A Q9Y233 1/20 0.36
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SSTR3 P32745 2/20 0.35
USP1 O94782 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
MAOB P27338 1/20 0.34
CD38 P28907 1/20 0.33
P2RX7 Q99572 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
WDR5 P61964 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGFR P43088 1/20 0.32

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
SCHEMBL6635079 0.94 HSD17B10 (0.38) PDE5APDE10AALDH1A1PTPN12PTPN22
SCHEMBL6218376 0.91 PDE5A (0.41) PDE5A
SCHEMBL6762955 0.90 PDE5A (0.37) PDE5APDE10AALDH1A1
Bicarbonate SCHEMBL6219647 0.89 PDE5A (0.47) PDE5APDE10AAURKARPS6KB1ALDH1A1
SCHEMBL6767775 0.89 MEN1 (0.38) PDE5APDE10AALDH1A1LMNATP53
SCHEMBL6764621 0.89 PTPN12 (0.40) PDE5AAURKARPS6KB1ALDH1A1LMNA
SCHEMBL6764845 0.87 PTPN12 (0.45) PDE5AAURKARPS6KB1ALDH1A1LMNA
SCHEMBL6764615 0.87 PDE10A (0.40) PDE5APDE10AAURKARPS6KB1ALDH1A1
SCHEMBL7674199 0.85 PDE10A (0.39) PDE5APDE10AAURKARPS6KB1ALDH1A1
SCHEMBL6903357 0.85 PDE5A (0.40) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates MERCK PATENT GMBH (DE) 2004-04-22 US disclosed
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
US-20040058940-A1 Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2) MERCK PATENT GMBH (DE) 2004-03-25 US disclosed
US-20030022906-A1 Use of pde v inhibitors MERCK PATENT GMBH (DE) 2003-01-30 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 (4 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-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates PTGIS, DPYD, PTGIR PDE5A 9/4885PDE10A 69/4885AURKA 1662/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR PDE5A 7/4885PDE10A 99/4885AURKA 1411/4885
US-20040058940-A1 Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2) PTGER1, PTGIS, PTGIR PDE5A 261/4885PDE10A 924/4885AURKA 2836/4885
US-20030022906-A1 Use of pde v inhibitors PDE3A, PDE5A, PDE2A PDE5A 2/4885PDE10A 9/4885AURKA 3664/4885

“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.