SCHEMBL6760805

SCHEMBL6760805

COC(=O)c1ccc(-c2nc(NCc3ccc(OC)c(Cl)c3)c3c(n2)sc2ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PDE5A O76074 9/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NR2E3 Q9Y5X4 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL6764284 0.93 MEN1 (0.48) MEN1KMT2APDE5APDE10AKDM4E
SCHEMBL6858289 0.91 MEN1 (0.47) MEN1KMT2APDE5APDE10A
SCHEMBL8182349 0.85 PRKCI (0.43) KMT2APDE5APDE10AKDM4E
SCHEMBL8177950 0.85 BCDIN3D (0.41) MEN1KMT2APDE5APDE10A
SCHEMBL6767944 0.85 MAPT (0.43) MEN1KMT2APDE5AKDM4EMAPT
SCHEMBL6767170 0.85 MEN1 (0.42) MEN1KMT2APDE5AKDM4EMAPT
SCHEMBL8177879 0.84 MEN1 (0.45) MEN1KMT2APDE5A
SCHEMBL6764106 0.83 MEN1 (0.40) MEN1KMT2APDE5AMAPT
SCHEMBL8179358 0.83 MEN1 (0.44) MEN1KMT2APDE5A
SCHEMBL6904800 0.83 MEN1 (0.47) MEN1KMT2APDE5AKDM4EMAPT

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
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

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 MEN1 3785/4885KMT2A 4595/4885PDE5A 9/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR MEN1 3633/4885KMT2A 4594/4885PDE5A 7/4885
US-20040058940-A1 Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2) PTGER1, PTGIS, PTGIR MEN1 1895/4885KMT2A 4746/4885PDE5A 261/4885
US-20030022906-A1 Use of pde v inhibitors PDE3A, PDE5A, PDE2A MEN1 3082/4885KMT2A 3295/4885PDE5A 2/4885

“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.

Send feedback