SCHEMBL6444202

SCHEMBL6444202

CCc1n[nH]c(C(=O)NCc2cccnn2)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NAMPT P43490 1/20 0.38
MAPK1 P28482 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
VNN1 O95497 1/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
SLC40A1 Q9NP59 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ELANE P08246 1/20 0.33

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
SCHEMBL6202272 0.86 CYP1A2 (0.54) CYP1A2CYP3A4MAPK1RAB9ALMNA
SCHEMBL6446674 0.78 CYP1A2 (0.52) CYP1A2CYP3A4MAPK1RAB9ALMNA
SCHEMBL7426695 0.72 HPGD (0.46) MAPK1RAB9ALMNAMEN1KMT2A
SCHEMBL6446627 0.70 CYP1A2 (0.50) CYP1A2CYP3A4MAPK1RAB9ALMNA
SCHEMBL3575824 0.69 ALDH1A1 (0.39) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL3830795 0.69 SMN1; SMN2 (0.41) RAB9ALMNAMEN1KMT2ANPC1
SCHEMBL1527741 0.68 SMN1; SMN2 (0.41) CTDSP1MEN1KMT2ANPC1MAPT
SCHEMBL27848584 0.68 MAPT (0.35) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL6446282 0.68 RAB9A (0.53) MAPK1RAB9ALMNAMEN1KMT2A
SCHEMBL9402 0.67 CYP2C9 (0.48) CYP1A2CYP2C9NAMPTMAPK1CTDSP1

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 8 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
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 CYP1A2 122/4885CYP3A4 201/4885CYP2C9 140/4885

“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.