SCHEMBL6446674

SCHEMBL6446674

CCCc1n[nH]c(C(=O)NCc2ccccn2)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
RAB9A P51151 2/20 0.48
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK10 P53779 1/20 0.46
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
CA2 P00918 1/20 0.42

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 0.92 CYP1A2 (0.54) CYP1A2CYP3A4RAB9AHSD17B10KDM4E
SCHEMBL6447518 0.83 RAB9A (0.51) RAB9AHSD17B10KDM4EMAPK10KMT2A
SCHEMBL6446627 0.82 CYP1A2 (0.50) CYP1A2CYP3A4RAB9AHSD17B10KDM4E
SCHEMBL3830795 0.81 SMN1; SMN2 (0.41) RAB9AKMT2ALMNAALDH1A1MEN1
SCHEMBL6444202 0.78 CYP1A2 (0.38) CYP1A2CYP3A4RAB9AKMT2ALMNA
SCHEMBL6446282 0.76 RAB9A (0.53) RAB9AHSD17B10KDM4EMAPK10KMT2A
SCHEMBL4744537 0.76 SMN1; SMN2 (0.41) RAB9AKMT2ALMNAALDH1A1MEN1
SCHEMBL8187253 0.75 MAPT (0.39) CYP1A2CYP3A4RAB9AHSD17B10KMT2A
SCHEMBL6632512 0.73 SMN1; SMN2 (0.39) RAB9AKMT2ALMNAALDH1A1MEN1
SCHEMBL902 0.71 SMN1; SMN2 (0.43) ALDH1A1HPGDSMN1; SMN2NPC1

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-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
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 201/4885RAB9A 1101/4885

“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.