SCHEMBL7497601

SCHEMBL7497601

COc1c(Cl)cc(CNc2nc(N3CCC(C(=O)O)CC3)nc3ccc(C#N)cc23)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.59
HRH4 Q9H3N8 2/20 0.53
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
PDE2A O00408 3/20 0.48
PDE6D O43924 1/20 0.47
PDE6A P16499 1/20 0.47
PDE6G P18545 1/20 0.47
PDE6B P35913 1/20 0.47
PDE6C P51160 1/20 0.47
PDE6H Q13956 1/20 0.47
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46

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
SCHEMBL7492921 0.90 PDE5A (0.73) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7503470 0.90 PDE5A (0.72) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7503454 0.90 PDE5A (0.72) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7503460 0.83 PDE5A (0.64) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7498058 0.82 PDE5A (0.62) PDE5APDE2APDE6DPDE6APDE6G
SCHEMBL7503452 0.81 PDE5A (0.71) PDE5APDE2A
SCHEMBL7502254 0.79 PDE4A (0.77) PDE5AHRH4PDE4APDE4BPDE4C
SCHEMBL7503592 0.79 PDE4A (0.69) PDE5AHRH4PDE4APDE4BPDE4C
SCHEMBL7495253 0.79 PDE4A (0.53) PDE5AHRH4PDE4APDE4BPDE4C
SCHEMBL7503089 0.78 PDE4A (0.59) PDE5AHRH4PDE4APDE4BPDE4C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607439-B1 NITROGENOUS HETEROCYCLIC COMPOUND EISAI CO LTD (JP) 2002-01-09 EP disclosed
US-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives PAMUKCU RIFAT (US) 2001-10-18 US disclosed
US-6262059-B1 Method of treating a patient having precancerous lesions with quinazoline derivatives CELL PATHWAYS, INC. 2001-07-17 US disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 US disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 EP 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 (1 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-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives MKI67, PCNA, NQO2 PDE5A 2260/4885HRH4 1414/4885PDE4A 1596/4885

“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.