SCHEMBL6450443

SCHEMBL6450443

CCOc1ncc([N+](=O)[O-])cc1C(=O)Nc1c(C(N)=O)nn(C)c1CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.49
MAPT P10636 5/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
RORC P51449 1/20 0.34
TERT O14746 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK8 P45983 1/20 0.33
AURKA O14965 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 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
SCHEMBL6776964 0.93 PDE5A (0.44) PDE5AMAPTPOLBKMT2AMEN1
SCHEMBL3579254 0.89 PDE5A (0.46) PDE5AMAPTPOLBKMT2AMEN1
SCHEMBL6442714 0.85 PDE5A (0.52) PDE5AKMT2AMEN1CCNA2CDK2
SCHEMBL6356953 0.80 TERT (0.57) PDE5AMAPTPOLBKMT2AMEN1
SCHEMBL6447286 0.78 MEN1 (0.39) PDE5APOLBKMT2AMEN1ALDH1A1
SCHEMBL6777123 0.78 PDE5A (0.47) PDE5ATERTALDH1A1MAPK8L3MBTL1
SCHEMBL6197426 0.76 PDE5A (0.81) PDE5AKMT2AALDH1A1KDM4E
SCHEMBL6442398 0.76 KMT2A (0.40) PDE5AMAPTPOLBKMT2AMEN1
SCHEMBL6772078 0.76 MAPT (0.46) MAPTPOLBKMT2AALDH1A1KDM4E
SCHEMBL3578605 0.74 PDE5A (0.49) PDE5APOLBKMT2AMEN1TERT

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 PDE5A 1/4885MAPT 4805/4885POLB 2145/4885

“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.