SCHEMBL6216153

SCHEMBL6216153

O=C(O)CCCCc1nc(NCc2ccccc2)c2c(n1)sc1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
EGFR P00533 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL6760761 0.97 POLB (0.43) ACHEEGFRPOLBHPGDATM
SCHEMBL6636383 0.94 ESR1 (0.40) ACHE
SCHEMBL6635448 0.93 ESR1 (0.40) ACHEMAPTRXFP1
SCHEMBL6213909 0.93 ACHE (0.44) ACHEEGFR
SCHEMBL6859497 0.91 ESR1 (0.41) ACHEPOLBHPGDATM
SCHEMBL6234175 0.90 KDM4E (0.41) HPGDMAPTPDE4APDE4BPDE4C
SCHEMBL6219232 0.89 FFAR1 (0.43)
SCHEMBL6214624 0.88 FFAR1 (0.42)
SCHEMBL6635949 0.87 HSD17B10 (0.41) EGFR
SCHEMBL6764142 0.87 HPGD (0.42) ACHEPOLBHPGDATMPDE4A

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 16 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-20040147545-A1 Derivatives of oxazolidinones as antibacterial agents LABORATORIOS VITA, S.A. (ES) 2004-07-29 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
EP-1355649-A2 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO 4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES MERCK PATENT GmbH (DE) 2003-10-29 EP disclosed
EP-1347762-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES (2) MERCK PATENT GmbH (DE) 2003-10-01 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
EP-1259229-A2 USE OF PDE V INHIBITORS MERCK PATENT GmbH (DE) 2002-11-27 EP 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
WO-2002060449-A2 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO[4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES MERCK PATENT GMBH (DE) 2002-08-08 WO disclosed
WO-2002049649-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES (2) MERCK PATENT GMBH (DE) 2002-06-27 WO disclosed
WO-2001064192-A2 USE OF BENZOTHIENO-2,3-D-PYRIMIDINES WITH PDE V INHIBITORY EFFECT FOR THE TREATMENT OF ERECTILE DYSFUNCTION MERCK PATENT GMBH (DE) 2001-09-07 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 (5 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 ACHE 331/4885EGFR 3826/4885POLB 1046/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR ACHE 539/4885EGFR 912/4885POLB 1821/4885
US-20040058940-A1 Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2) PTGER1, PTGIS, PTGIR ACHE 2551/4885EGFR 3205/4885POLB 3737/4885
US-20030022906-A1 Use of pde v inhibitors PDE3A, PDE5A, PDE2A ACHE 208/4885EGFR 4868/4885POLB 1231/4885
US-20040147545-A1 Derivatives of oxazolidinones as antibacterial agents OXA1L, Q6ZSR9, PGC ACHE 3336/4885EGFR 1371/4885POLB 1131/4885

“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.