SCHEMBL6706989

SCHEMBL6706989

Cc1sc2nc(CCCCC(=O)O)nc(NCc3ccc4c(c3)OCO4)c2c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAD52 P43351 1/20 0.41
MAPT P10636 1/20 0.41
PPP1CA P62136 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 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
SCHEMBL6706601 0.99 CHRM4 (0.42) CHRM4KDM4ELMNAALDH1A1POLB
SCHEMBL6706616 0.97 CHRM4 (0.44) CHRM4KDM4ELMNAALDH1A1POLB
SCHEMBL6708354 0.94 CHRM4 (0.45) CHRM4KDM4ELMNAALDH1A1POLB
SCHEMBL6706639 0.92 ALDH1A1 (0.42) CHRM4KDM4ELMNAALDH1A1POLB
SCHEMBL6708320 0.91 ALDH1A1 (0.42) CHRM4KDM4ELMNAALDH1A1POLB
SCHEMBL6708332 0.89 ALDH1A1 (0.43) CHRM4KDM4ELMNAALDH1A1POLB
SCHEMBL6711566 0.87 ALDH1A1 (0.44) CHRM4KDM4ELMNAALDH1A1POLB
SCHEMBL6706621 0.85 POLB (0.43) KDM4ELMNAALDH1A1POLBSMN1; SMN2
SCHEMBL6215716 0.85 ALDH1A1 (0.44) KDM4EALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL5254121 0.85 PTPN12 (0.49) CHRM4LMNAALDH1A1SMN1; SMN2MAPT

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 CHRM4 771/4885KDM4E 3713/4885LMNA 4764/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR CHRM4 280/4885KDM4E 2219/4885LMNA 4526/4885
US-20040034040-A1 Use of thienopyrimidines DPYD, TBXAS1, TYMS CHRM4 1605/4885KDM4E 4364/4885LMNA 4545/4885
US-20020132818-A1 Thienopyrimidines PDE5A, PDE3B, PDE3A CHRM4 2367/4885KDM4E 1949/4885LMNA 3872/4885
US-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives PTGER1, TBXA2R, PTGIS CHRM4 330/4885KDM4E 4709/4885LMNA 3734/4885

“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.