SCHEMBL7500002

SCHEMBL7500002

COc1cc2c(NCc3ccc4c(c3)OCO4)nc(C)nc2c(OC)c1OC

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.76
PDE2A O00408 1/20 0.76
PDE1A P54750 1/20 0.76
PDE1B Q01064 1/20 0.76
PDE1C Q14123 1/20 0.76
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
MAPK1 P28482 2/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
CREBBP Q92793 1/20 0.56
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL7496280 0.90 PDE5A (0.76) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL7500246 0.90 PDE5A (0.76) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL7497773 0.87 PDE5A (0.72) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL492485 0.87 PDE5A (1.00) PDE5APDE2APDE1APDE1BPDE1C
Hydrochloric Acid SCHEMBL27383537 0.86 PDE5A (0.98) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL7497147 0.85 PDE5A (0.73) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL7503292 0.85 PDE5A (0.69) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL7496606 0.85 PDE5A (0.69) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL7495831 0.84 PDE5A (0.66) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL7796206 0.82 PDE5A (0.68) PDE5APDE2APDE1APDE1BPDE1C

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-6046206-A Method of treating a patient having a precancerous lesions with amide quinazoline derivatives CELL PATHWAYS, INC. (US) 2000-04-04 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
CN-1071164-A Nitrogen-containing heterocycle compound EISAI CO LTD (JP) 1993-04-21 CN disclosed