SCHEMBL6446672

SCHEMBL6446672

CCCc1nn(Cc2ccccn2)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
USP2 O75604 1/20 0.43
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ADRA1D P25100 1/20 0.38
SIRT1 Q96EB6 1/20 0.36
MGMT P16455 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TERT O14746 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
PARP10 Q53GL7 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
SCHEMBL6202269 0.91 SMN1; SMN2 (0.44) SMN1; SMN2USP2KDM4EALDH1A1ADRA1D
SCHEMBL6338203 0.84 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KMT2AMEN1TERT
SCHEMBL7004394 0.83 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1ADRA1DSIRT1
SCHEMBL6447516 0.83 USP2 (0.50) SMN1; SMN2USP2KDM4EALDH1A1ADRA1D
SCHEMBL6446623 0.82 NPSR1 (0.41) SMN1; SMN2KDM4EALDH1A1ADRA1DSIRT1
SCHEMBL6446531 0.81 SMN1; SMN2 (0.40) SMN1; SMN2USP2KDM4EALDH1A1ADRA1D
SCHEMBL1295 0.79 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6443705 0.79 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KMT2AMEN1TERT
Hydrochloric Acid SCHEMBL7394668 0.78 SMN1; SMN2 (0.36) SMN1; SMN2USP2KDM4EALDH1A1ADRA1D
SCHEMBL6444199 0.77 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1

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 SMN1; SMN2 1854/4885USP2 3533/4885KDM4E 1840/4885

“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.