SCHEMBL6708375

SCHEMBL6708375

COC(=O)CCCCCCc1nc(Cl)c2cc(C)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
KAT2B Q92831 3/20 0.39
MAPT P10636 2/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LTB4R Q15722 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PLK1 P53350 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.99 HPGD (0.38) HPGDKAT2BMAPTPDE3BPDE3A
SCHEMBL6709557 0.95 KAT2B (0.36) HPGDKAT2BMAPTALDH1A1CSNK2A2
SCHEMBL6708455 0.90 RPS6KB2 (0.37) KAT2BMAPTPDE3BPDE3AALDH1A1
SCHEMBL6706604 0.89 KAT2B (0.42) HPGDKAT2BMAPTPDE3BPDE3A
SCHEMBL6708337 0.88 KAT2B (0.41) HPGDKAT2BMAPTPDE3BPDE3A
SCHEMBL7112503 0.87 CSNK2A2 (0.43) MAPTALDH1A1LTB4RCSNK2A2CSNK2B
SCHEMBL6708349 0.86 HPGD (0.41) HPGDKAT2BMAPTALDH1A1KDM4E
SCHEMBL7101086 0.85 CSNK2A2 (0.43) ALDH1A1LTB4RCSNK2A2CSNK2BCSNK2A1
SCHEMBL6708399 0.85 SELE (0.41) HPGDKAT2BALDH1A1KDM4EKMT2A
SCHEMBL6708286 0.84 KAT2B (0.40) HPGDKAT2BMAPTALDH1A1L3MBTL1

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 HPGD 16/4885KAT2B 4660/4885MAPT 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 HPGD 160/4885KAT2B 4824/4885MAPT 3851/4885
US-20040034040-A1 Use of thienopyrimidines DPYD, TBXAS1, TYMS HPGD 312/4885KAT2B 4709/4885MAPT 4070/4885
US-20020132818-A1 Thienopyrimidines PDE5A, PDE3B, PDE3A HPGD 78/4885KAT2B 3999/4885MAPT 2897/4885
US-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives PTGER1, TBXA2R, PTGIS HPGD 37/4885KAT2B 4003/4885MAPT 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.