SCHEMBL6243107

SCHEMBL6243107

COC(=O)CCCCCCc1nc(Cl)c2c(n1)sc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
HPGD P15428 4/20 0.40
EGLN1 Q9GZT9 1/20 0.39
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ELANE P08246 1/20 0.35
LTB4R Q15722 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CES1 P23141 1/20 0.34
RPS6KB2 Q9UBS0 1/20 0.34

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
SCHEMBL6240292 0.99 MAPT (0.43) MAPTHPGDEGLN1ALDH1A1NPSR1
SCHEMBL6760802 0.96 MAPT (0.42) MAPTHPGDEGLN1ALDH1A1NPSR1
SCHEMBL6219167 0.91 EGLN1 (0.41) MAPTHPGDEGLN1ALDH1A1NPSR1
SCHEMBL6215987 0.88 KDM4E (0.42) HPGDALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL6763425 0.84 EGLN1 (0.42) MAPTHPGDEGLN1ALDH1A1NPSR1
SCHEMBL6216556 0.84 PDE5A (0.40) HPGDALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL6217315 0.83 PDE5A (0.41) HPGDALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL6214251 0.82 ALDH1A1 (0.41) MAPTHPGDALDH1A1KDM4EMEN1
SCHEMBL6234175 0.81 KDM4E (0.41) MAPTHPGDALDH1A1NPSR1KDM4E
SCHEMBL6216690 0.81 ALDH1A1 (0.42) MAPTHPGDALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6787548-B1 CARDIOVASCULAR INSUFFICIENCY AND ERECTILE DYSFUNCTION; 3-(4-(3-CHLORO-4-HYDROXYBENZYLAMINO) BENZO(4,5)THIENO(2,3-D)PYRIMIDIN-2-YL)PROPIONIC ACID MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2004-09-07 US 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
US-6495557-B1 SUCH AS 3-(4-(3-CHLORO-4-METHOXYBENZYLAMINO)BENZO-(4,5)-THIENO (2,3-D)PYRIMIDIN-2-YL)PROPIONIC ACID; CARDIOVASCULAR DISORDERS AND/OR IMPAIRED POTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-12-17 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
EP-1084125-A1 CONDENSED THIENOPYRIMIDINES WITH PHOSPHODIESTERASE-V INHIBITING ACTION MERCK PATENT GmbH (DE) 2001-03-21 EP disclosed
WO-1999055708-A1 CONDENSED THIENOPYRIMIDINES WITH PHOSPHODIESTERASE-V INHIBITING ACTION MERCK PATENT GMBH (DE) 1999-11-04 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 MAPT 3466/4885HPGD 16/4885EGLN1 4162/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR MAPT 3851/4885HPGD 160/4885EGLN1 2364/4885
US-20040058940-A1 Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2) PTGER1, PTGIS, PTGIR MAPT 4213/4885HPGD 27/4885EGLN1 2567/4885
US-20030022906-A1 Use of pde v inhibitors PDE3A, PDE5A, PDE2A MAPT 2698/4885HPGD 132/4885EGLN1 969/4885

“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.