SCHEMBL6442004

SCHEMBL6442004

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

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.78
MAPT P10636 3/20 0.44
PKM P14618 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TERT O14746 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1452 0.88 SMN1; SMN2 (1.00) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL27540420 0.86 SMN1; SMN2 (0.58) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL8055630 0.85 SMN1; SMN2 (0.75) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL27574855 0.84 SMN1; SMN2 (0.57) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL28038421 0.84 SMN1; SMN2 (0.60) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL7847021 0.83 SMN1; SMN2 (0.90) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL16972520 0.82 SMN1; SMN2 (0.87) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL10923680 0.82 SMN1; SMN2 (0.55) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL13743000 0.81 SMN1; SMN2 (0.73) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL28038719 0.80 SMN1; SMN2 (0.56) SMN1; SMN2MAPTPKMMEN1KMT2A

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
CN-105037346-A Pyrazol bi-amide compounds containing 1,2,3-thiadiazole and synthetic method and application thereof UNIV CHINA AGRICULTURAL 2015-11-11 CN disclosed
CN-102267986-B Pyrazole bisamide compounds as well as synthesis method and application thereof UNIV CHINA AGRICULTURAL 2014-04-16 CN disclosed
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 SMN1; SMN2 1854/4885MAPT 4805/4885PKM 1228/4885

“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.