SCHEMBL6443736

SCHEMBL6443736

CCc1c(N)c(C(N)=O)nn1CC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
GAA P10253 2/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
RIPK2 O43353 1/20 0.30
LCK P06239 1/20 0.30
KDR P35968 1/20 0.30
TGFBR1 P36897 1/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL3576811 0.81 ALDH1A1 (0.36) GAAADORA2AADORA1ALDH1A1
SCHEMBL6776697 0.81 SRC (0.38) ALDH1A1LMNALCK
SCHEMBL6200869 0.80 ADORA2A (0.35) GAAADORA2AADORA1ALDH1A1LMNA
SCHEMBL6442051 0.79 PTGDR2 (0.46) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6807697 0.77 CCNA2 (0.37) GAAALDH1A1HSD17B10KDM4EMEN1
SCHEMBL6442557 0.76 SMN1; SMN2 (0.43) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL6450553 0.75 PDE5A (0.39) MEN1KMT2A
SCHEMBL5827229 0.75 ADRA1D (0.40) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL6806620 0.74 HRH1 (0.39)
SCHEMBL6806341 0.74 CTDSP1 (0.38) LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1229349-C Pyridine-3-carboxylic acid derivative PFIZER (US) 2005-11-30 CN disclosed
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP disclosed
CN-1495169-A Pyridine-3-carboxylic acid derivative 2004-05-12 CN disclosed
EP-1371647-A2 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER INC. (US) 2003-12-17 EP disclosed
EP-1073658-B1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER (US) 2003-08-13 EP disclosed
US-6458951-B2 FOR TREATMENT OF MALE ERECTILE DYSFUNCTION, FEMALE SEXUAL DYSFUNCTION PFIZER INC 2002-10-01 US disclosed
US-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction BUNNAGE MARK EDWARD (GB) 2001-11-08 US disclosed
US-6251904-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-06-26 US disclosed
EP-1073658-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 2001-02-07 EP disclosed
WO-1999054333-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 1999-10-28 WO 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-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B NPC1 1821/4885GAA 3394/4885ADORA2A 1676/4885

“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.