SCHEMBL6444199

SCHEMBL6444199

CCc1nn(Cc2cccnn2)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.37
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 3/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL6202269 0.86 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2L3MBTL1ALDH1A1KMT2A
SCHEMBL6805497 0.83 CTDSP1 (0.38) CTDSP1CYP1A2ALOX15GRIN1GRIN2B
SCHEMBL6448402 0.80 CTDSP1 (0.37) SMN1; SMN2CTDSP1CYP1A2L3MBTL1MAPT
SCHEMBL6446672 0.77 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1POLBALDH1A1MEN1
SCHEMBL6444533 0.77 SMN1; SMN2 (0.39) SMN1; SMN2CTDSP1CYP1A2L3MBTL1MAPT
SCHEMBL28038421 0.75 SMN1; SMN2 (0.60) SMN1; SMN2CTDSP1L3MBTL1POLBMAPT
SCHEMBL6443280 0.75 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6338203 0.72 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTALDH1A1MEN1
SCHEMBL28038719 0.72 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1MAPTALDH1A1MEN1
SCHEMBL3579717 0.71 SMN1; SMN2 (0.52) SMN1; SMN2CTDSP1CYP1A2L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP disclosed
US-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
EP-1371647-A2 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER INC. (US) 2003-12-17 EP disclosed
EP-1368352-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2003-12-10 EP disclosed
EP-1073658-B1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER (US) 2003-08-13 EP disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 US disclosed
US-6458951-B2 FOR TREATMENT OF MALE ERECTILE DYSFUNCTION, FEMALE SEXUAL DYSFUNCTION PFIZER INC 2002-10-01 US disclosed
WO-2002074774-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2002-09-26 WO 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 (2 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 SMN1; SMN2 1854/4885CTDSP1 2619/4885CYP1A2 122/4885
US-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A SMN1; SMN2 2159/4885CTDSP1 1555/4885CYP1A2 429/4885

“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.