SCHEMBL6709456

SCHEMBL6709456

CCc1cc2c(NCc3ccc4c(c3)OCO4)nc(CCC(=O)O)nc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HTT P42858 2/20 0.45
PDE5A O76074 5/20 0.44
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
PPP1CA P62136 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AURKB Q96GD4 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 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
SCHEMBL6709497 0.95 KDM4E (0.47) KDM4EALDH1A1HSD17B10HTTPDE5A
SCHEMBL6763990 0.94 KDM4E (0.46) KDM4EALDH1A1HSD17B10HTTPDE5A
SCHEMBL6709541 0.93 KDM4E (0.46) KDM4EALDH1A1HSD17B10HTTPDE5A
SCHEMBL6706987 0.91 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10HTTPDE5A
SCHEMBL6711526 0.90 SMN1; SMN2 (0.44) KDM4EALDH1A1HTTPDE5APOLB
SCHEMBL6708129 0.88 PDE4A (0.46) KDM4EALDH1A1PDE5AAURKARPS6KB1
SCHEMBL6709515 0.88 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10HTTPDE5A
SCHEMBL6707030 0.87 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10HTTPDE5A
SCHEMBL6707067 0.86 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10HTTPDE5A
SCHEMBL6711530 0.85 POLB (0.43) KDM4EALDH1A1HTTPDE5APOLB

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 15 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-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives MERCK PATENT GMBH (DE) 2004-04-15 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-20040034040-A1 Use of thienopyrimidines MERCK PATENT GMBH (DE) 2004-02-19 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-1347761-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-01 EP disclosed
US-6495554-B2 PHOSPHODIESTERASE V INHIBITORS, TREATING CARDIOVASCULAR DISORDERS, AND THERAPY OF ERECTILE DYSFUNCTION. MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-12-17 US disclosed
US-20020132818-A1 Thienopyrimidines MERCK PATENT GMBH (DE) 2002-09-19 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
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
US-6420368-B1 DISEASES OF THE CARDIOVASCULAR SYSTEM AND FOR TREATMENT AND/OR THERAPY OF ERECTILE DYSFUNCTION. MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-07-16 US disclosed
WO-2002049650-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES MERCK PATENT GMBH (DE) 2002-06-27 WO disclosed
EP-1036078-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2000-09-20 EP disclosed
WO-1999028325-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1999-06-10 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 KDM4E 3713/4885ALDH1A1 1785/4885HSD17B10 3503/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR KDM4E 2219/4885ALDH1A1 3483/4885HSD17B10 3904/4885
US-20040034040-A1 Use of thienopyrimidines DPYD, TBXAS1, TYMS KDM4E 4364/4885ALDH1A1 497/4885HSD17B10 2736/4885
US-20020132818-A1 Thienopyrimidines PDE5A, PDE3B, PDE3A KDM4E 1949/4885ALDH1A1 313/4885HSD17B10 609/4885
US-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives PTGER1, TBXA2R, PTGIS KDM4E 4709/4885ALDH1A1 2919/4885HSD17B10 3204/4885

“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.