SCHEMBL6219232

SCHEMBL6219232

O=C(O)CCCCc1nc(NCc2ccc(Cl)c(Cl)c2)c2c(n1)sc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
TRPV1 Q8NER1 5/20 0.41
MAOB P27338 1/20 0.41
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CD38 P28907 1/20 0.36

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
SCHEMBL6214624 0.99 FFAR1 (0.42) FFAR1TRPV1MAOBAURKARPS6KB1
SCHEMBL6762774 0.97 TRPV1 (0.44) FFAR1TRPV1MAOBAURKARPS6KB1
SCHEMBL6217625 0.94 FFAR1 (0.47) FFAR1TRPV1MAOBAURKARPS6KB1
SCHEMBL6635949 0.93 HSD17B10 (0.41) FFAR1TRPV1
SCHEMBL6635468 0.92 HSD17B10 (0.41) FFAR1TRPV1
SCHEMBL6213972 0.91 ACHE (0.44)
SCHEMBL6858285 0.90 HSD17B10 (0.42) FFAR1TRPV1MAOB
SCHEMBL6213796 0.90 ACHE (0.43)
SCHEMBL6215433 0.89 PDE5A (0.38) FFAR1
SCHEMBL6216153 0.89 ACHE (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084125-B1 CONDENSED THIENOPYRIMIDINES WITH PHOSPHODIESTERASE-V INHIBITING ACTION MERCK PATENT GMBH (DE) 2005-12-28 EP disclosed
EP-1259229-B1 USE OF BENZO-THIENO[2,3-d]PYRIMIDINES HAVING PDE V INHIBITING ACTIVITY FOR THE TREATMENT OF ERECTILE DYSFUNCTION MERCK PATENT GMBH (DE) 2005-06-15 EP disclosed
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
EP-1357915-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO 4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2003-11-05 EP disclosed
US-20030022906-A1 Use of pde v inhibitors MERCK PATENT GMBH (DE) 2003-01-30 US disclosed
WO-2002062343-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO[4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2002-08-15 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 (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 FFAR1 3222/4885TRPV1 673/4885MAOB 1104/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR FFAR1 1125/4885TRPV1 395/4885MAOB 2172/4885
US-20040058940-A1 Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2) PTGER1, PTGIS, PTGIR FFAR1 864/4885TRPV1 60/4885MAOB 1245/4885
US-20030022906-A1 Use of pde v inhibitors PDE3A, PDE5A, PDE2A FFAR1 2502/4885TRPV1 1769/4885MAOB 406/4885

“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.