SCHEMBL7722659

SCHEMBL7722659

CCCOc1ccccc1-c1nc2[nH]c(=O)c(=O)[nH]c2c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.67
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 2/20 0.61
GLA P06280 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MEN1 O00255 1/20 0.61
PDE2A O00408 1/20 0.61
PDE6D O43924 1/20 0.61
USP2 O75604 1/20 0.61
PDE9A O76083 1/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
PDE6A P16499 1/20 0.61

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
SCHEMBL1962446 0.81 PDE5A (1.00) PDE5AKDM4EALDH1A1KMT2AGLA
SCHEMBL7722411 0.81 PDE5A (0.77) PDE5AKDM4EALDH1A1KMT2AGLA
SCHEMBL1962489 0.81 PDE5A (0.68) PDE5AKDM4EALDH1A1KMT2AGLA
Zaprinast SCHEMBL50328 0.80 PDE5A (0.65) PDE5AKDM4EALDH1A1KMT2AGLA
SCHEMBL7721486 0.80 PDE5A (0.64) PDE5AKDM4EALDH1A1KMT2AGLA
SCHEMBL7965712 0.80 PDE5A (1.00) PDE5AKDM4EALDH1A1KMT2AMEN1
SCHEMBL7377997 0.80 PDE5A (0.73) PDE5AKDM4EALDH1A1KMT2AGLA
SCHEMBL3701453 0.80 PDE5A (0.69) PDE5AKDM4EALDH1A1KMT2AGLA
Zaprinast SCHEMBL6374345 0.80 PDE5A (0.70) PDE5AKDM4EALDH1A1KMT2AGLA
SCHEMBL6198487 0.79 PDE5A (0.65) PDE5AKDM4EALDH1A1KMT2AMEN1

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-0347146-B1 FUSED PYRIMIDINE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-01 EP claimed
EP-0347146-A2 Fused pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 EP claimed
US-6391885-B1 CONTROLLING APOPTOSIS IN AUTOIMMUNE DISEASE CELL PATHWAYS, INC. 2002-05-21 US disclosed
US-6060477-A Method of treating a patient having precancerous lesions with phenyl cycloamino pyrimidinone derivatives CELL PATHWAYS, INC. (US) 2000-05-09 US disclosed
EP-0347146-B1 FUSED PYRIMIDINE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-01 EP disclosed
US-5047404-A Fused pyrimidine derivatives bronchodilator agents, antiallergens SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-09-10 US disclosed
EP-0347146-A2 Fused pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 EP disclosed