SCHEMBL6709557

SCHEMBL6709557

COC(=O)CCCc1nc(Cl)c2cc(C)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.36
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLK1 P53350 1/20 0.34
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NOTUM Q6P988 1/20 0.33
RPS6KB2 Q9UBS0 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL6708361 0.96 HPGD (0.38) KAT2BMAPTALDH1A1HPGDCSNK2A2
SCHEMBL6708375 0.95 HPGD (0.40) KAT2BMAPTALDH1A1HPGDCSNK2A2
SCHEMBL6708455 0.93 RPS6KB2 (0.37) KAT2BMAPTALDH1A1CSNK2A2CSNK2B
SCHEMBL6708286 0.89 KAT2B (0.40) KAT2BMAPTALDH1A1HPGDL3MBTL1
SCHEMBL6706662 0.86 SELE (0.42) KAT2BMAPTALDH1A1HPGDKMT2A
SCHEMBL6708337 0.85 KAT2B (0.41) KAT2BMAPTALDH1A1HPGDL3MBTL1
SCHEMBL6706604 0.84 KAT2B (0.42) KAT2BMAPTHPGDL3MBTL1RPS6KB2
SCHEMBL7101086 0.82 CSNK2A2 (0.43) ALDH1A1CSNK2A2CSNK2BCSNK2A1KMT2A
SCHEMBL6708399 0.82 SELE (0.41) KAT2BALDH1A1HPGDKMT2AKDM4E
SCHEMBL7112503 0.81 CSNK2A2 (0.43) MAPTALDH1A1CSNK2A2CSNK2BCSNK2A1

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 KAT2B 4660/4885MAPT 3466/4885ALDH1A1 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 KAT2B 4824/4885MAPT 3851/4885ALDH1A1 3483/4885
US-20040034040-A1 Use of thienopyrimidines DPYD, TBXAS1, TYMS KAT2B 4709/4885MAPT 4070/4885ALDH1A1 497/4885
US-20020132818-A1 Thienopyrimidines PDE5A, PDE3B, PDE3A KAT2B 3999/4885MAPT 2897/4885ALDH1A1 313/4885
US-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives PTGER1, TBXA2R, PTGIS KAT2B 4003/4885MAPT 4422/4885ALDH1A1 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.