SCHEMBL6707030

SCHEMBL6707030

CCc1cc2c(NCc3ccc4c(c3)OCO4)nc(CCCCC(=O)OC)nc2s1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
PPP1CA P62136 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE5A O76074 5/20 0.41
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL6707067 0.99 ALDH1A1 (0.42) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL6709515 0.97 ALDH1A1 (0.43) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL7181653 0.95 SMN1; SMN2 (0.39) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL6706987 0.94 ALDH1A1 (0.44) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL6763990 0.92 KDM4E (0.46) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL6709601 0.91 MAPT (0.42) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL6709541 0.91 KDM4E (0.46) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL6709592 0.90 HSD17B10 (0.41) ALDH1A1MAPTKDM4EPOLBPPP1CA
SCHEMBL6709505 0.89 HDAC3 (0.41) ALDH1A1MAPTKDM4EPOLBPPP1CA
SCHEMBL6709497 0.89 KDM4E (0.47) ALDH1A1HTTMAPTKDM4EPOLB

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-1337256-A2 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2003-08-27 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-2002041896-A2 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2002-05-30 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 ALDH1A1 1785/4885HTT 3846/4885MAPT 3466/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR ALDH1A1 3483/4885HTT 4407/4885MAPT 3851/4885
US-20040034040-A1 Use of thienopyrimidines DPYD, TBXAS1, TYMS ALDH1A1 497/4885HTT 3761/4885MAPT 4070/4885
US-20020132818-A1 Thienopyrimidines PDE5A, PDE3B, PDE3A ALDH1A1 313/4885HTT 3015/4885MAPT 2897/4885
US-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives PTGER1, TBXA2R, PTGIS ALDH1A1 2919/4885HTT 3973/4885MAPT 4422/4885

“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.