SCHEMBL6708370

SCHEMBL6708370

COC(=O)CCCCCCc1nc(Cl)c2c(C)c(C)sc2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 4/20 0.44
ELANE P08246 1/20 0.44
MAPK1 P28482 1/20 0.43
NOTUM Q6P988 1/20 0.40
ABCB1 P08183 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL6708170 0.99 LMNA (0.46) LMNAKDM4EALDH1A1HTTHPGD
SCHEMBL6706677 0.95 LMNA (0.47) LMNAKDM4EALDH1A1HTTHPGD
SCHEMBL6708254 0.90 ALDH1A1 (0.49) LMNAKDM4EALDH1A1HTTHPGD
SCHEMBL7099138 0.85 KDM4E (0.49) LMNAKDM4EALDH1A1HTTHPGD
SCHEMBL6243107 0.79 MAPT (0.45) KDM4EALDH1A1HPGDELANEMEN1
SCHEMBL5249261 0.79 MAPT (0.49) KDM4EALDH1A1HPGDELANEMAPK1
SCHEMBL7096009 0.78 KDM4E (0.52) LMNAKDM4EALDH1A1HTTHPGD
SCHEMBL6708375 0.78 HPGD (0.40) KDM4EALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL5250125 0.77 KMT2A (0.50) KDM4EALDH1A1HPGDELANEMAPK1
SCHEMBL6240292 0.77 MAPT (0.43) KDM4EALDH1A1HPGDELANEMAPK1

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 9 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
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
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

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 LMNA 4764/4885KDM4E 3713/4885ALDH1A1 1785/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR LMNA 4526/4885KDM4E 2219/4885ALDH1A1 3483/4885
US-20040034040-A1 Use of thienopyrimidines DPYD, TBXAS1, TYMS LMNA 4545/4885KDM4E 4364/4885ALDH1A1 497/4885
US-20020132818-A1 Thienopyrimidines PDE5A, PDE3B, PDE3A LMNA 3872/4885KDM4E 1949/4885ALDH1A1 313/4885
US-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives PTGER1, TBXA2R, PTGIS LMNA 3734/4885KDM4E 4709/4885ALDH1A1 2919/4885

“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.