SCHEMBL6196995

SCHEMBL6196995

CCCn1nc(COCc2ccccc2)c(C(N)=O)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.50
MAPK1 P28482 1/20 0.43
GHSR Q92847 7/20 0.39
BTK Q06187 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
XIAP P98170 1/20 0.35
SRC P12931 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL6197831 0.90 PDE2A (0.52) PDE2AMAPK1GHSRMEN1KMT2A
SCHEMBL22423076 0.85 PDE2A (0.53) PDE2AMAPK1GHSRMEN1KMT2A
SCHEMBL20202573 0.83 MAPK1 (0.51) PDE2AMAPK1MEN1KMT2AALDH1A1
SCHEMBL20207772 0.78 PDE2A (0.52) PDE2AMAPK1GHSRALDH1A1KDM4E
SCHEMBL6201447 0.77 TSHR (0.48) MAPK1GHSRALDH1A1TSHRKDM4E
SCHEMBL20138445 0.75 PDE2A (0.54) PDE2AGHSRTSHRSRCGAA
SCHEMBL31194618 0.75 MAPK1 (0.57) MAPK1MEN1KMT2AALDH1A1TSHR
SCHEMBL18283117 0.73 PDE2A (0.69) PDE2AMAPK1GHSRALDH1A1XIAP
SCHEMBL20581431 0.73 PDE2A (0.74) PDE2AGHSRALDH1A1XIAPKDM4E
SCHEMBL20202564 0.72 PDE2A (0.55) PDE2AMAPK1GHSRBTKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0995751-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER (US) 2005-06-29 EP disclosed
US-6407114-B1 BENIGN PROSTATIC HYPERPLASIA, CARDIOVASCULAR, GASTROINTESTINAL AND RESPIRATORY DISORDER TREATMENT; ANTIASTHMATIC, ANTIALLERGEN, AND ANTIDIABETIC AGENTS PFIZER INC. 2002-06-18 US disclosed
EP-0995751-A2 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP disclosed