SCHEMBL6709592

SCHEMBL6709592

COC(=O)CCCCc1nc(NCc2ccc3c(c2)OCO3)c2cc(Cl)sc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
PDE5A O76074 8/20 0.41
PDE2A O00408 2/20 0.40
PDE1A P54750 2/20 0.40
PDE1B Q01064 2/20 0.40
PDE1C Q14123 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PPP1CA P62136 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 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
SCHEMBL6709505 0.99 HDAC3 (0.41) HSD17B10PDE4APDE4BPDE4CPDE4D
SCHEMBL6708322 0.97 HSD17B10 (0.42) HSD17B10PDE4APDE4BPDE4CPDE4D
SCHEMBL7095239 0.97 SMN1; SMN2 (0.41) HSD17B10PDE4APDE4BPDE4CPDE4D
SCHEMBL7099400 0.96 SMN1; SMN2 (0.40) HSD17B10PDE4APDE4BPDE4CPDE4D
SCHEMBL6708279 0.94 HSD17B10 (0.43) HSD17B10PDE4APDE4BPDE4CPDE4D
SCHEMBL7096108 0.91 SMN1; SMN2 (0.42) HSD17B10PDE4APDE4BPDE4CPDE4D
SCHEMBL6709601 0.91 MAPT (0.42) HSD17B10SMN1; SMN2KDM4ELMNAPDE5A
SCHEMBL6706619 0.91 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6707030 0.90 ALDH1A1 (0.42) HSD17B10SMN1; SMN2KDM4ELMNAPDE5A
SCHEMBL6707039 0.90 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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 HSD17B10 3503/4885PDE4A 26/4885PDE4B 29/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR HSD17B10 3904/4885PDE4A 28/4885PDE4B 43/4885
US-20040034040-A1 Use of thienopyrimidines DPYD, TBXAS1, TYMS HSD17B10 2736/4885PDE4A 171/4885PDE4B 275/4885
US-20020132818-A1 Thienopyrimidines PDE5A, PDE3B, PDE3A HSD17B10 609/4885PDE4A 7/4885PDE4B 13/4885
US-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives PTGER1, TBXA2R, PTGIS HSD17B10 3204/4885PDE4A 686/4885PDE4B 1075/4885

“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.