SCHEMBL6711489

SCHEMBL6711489

COC(=O)Cc1nc(NCc2ccc(OC)c(Cl)c2)c2c3c(sc2n1)CCCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
STAT3 P40763 1/20 0.49
MAPT P10636 7/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.43
PDE5A O76074 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41

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
SCHEMBL6706633 0.93 MAPT (0.47) SMN1; SMN2NPSR1LMNAKDM4EALDH1A1
SCHEMBL5249043 0.92 MAPT (0.46) SMN1; SMN2NPSR1LMNAKDM4EALDH1A1
SCHEMBL6711646 0.90 MAPT (0.44) SMN1; SMN2NPSR1LMNAKDM4EALDH1A1
SCHEMBL5251335 0.89 MAPT (0.44) SMN1; SMN2NPSR1LMNAKDM4EALDH1A1
SCHEMBL6215003 0.89 MAPT (0.45) SMN1; SMN2NPSR1ALDH1A1MAPTMEN1
SCHEMBL5251034 0.89 MAPT (0.43) SMN1; SMN2NPSR1LMNAKDM4EALDH1A1
SCHEMBL5408026 0.88 MAPT (0.51) SMN1; SMN2NPSR1LMNAKDM4EALDH1A1
SCHEMBL5251577 0.88 MAPT (0.46) SMN1; SMN2NPSR1MAPTMEN1KMT2A
SCHEMBL5247813 0.88 MAPT (0.46) SMN1; SMN2NPSR1MAPTMEN1KMT2A
SCHEMBL5251434 0.87 MAPT (0.45) SMN1; SMN2NPSR1LMNAMAPTMEN1

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-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-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 (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 SMN1; SMN2 4332/4885NPSR1 538/4885LMNA 4764/4885
US-20040034040-A1 Use of thienopyrimidines DPYD, TBXAS1, TYMS SMN1; SMN2 2771/4885NPSR1 533/4885LMNA 4545/4885
US-20020132818-A1 Thienopyrimidines PDE5A, PDE3B, PDE3A SMN1; SMN2 914/4885NPSR1 2732/4885LMNA 3872/4885
US-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives PTGER1, TBXA2R, PTGIS SMN1; SMN2 1923/4885NPSR1 265/4885LMNA 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.