SCHEMBL2566737

SCHEMBL2566737

CCc1ccnc(NN)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.57
NOS1 P29475 1/20 0.57
NOS2 P35228 1/20 0.57
RIOK2 Q9BVS4 1/20 0.44
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NR3C2 P08235 11/20 0.40
SMYD3 Q9H7B4 1/20 0.39
MAP3K14 Q99558 1/20 0.37

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
SCHEMBL31119421 1.00 NOS3 (0.57) NOS3NOS1NOS2RIOK2PKM
SCHEMBL10238962 0.85 NR3C2 (0.44) NOS3NOS1NOS2KDM4ENR3C2
SCHEMBL11015263 0.82 MME (0.43) NOS3NOS1NOS2KDM4ENR3C2
SCHEMBL31325755 0.82 NOS2 (0.53) NOS3NOS1NOS2RIOK2PKM
SCHEMBL2056325 0.82 NOS2 (0.53) NOS3NOS1NOS2RIOK2PKM
SCHEMBL5070476 0.80 RECQL (0.52) NR3C2
SCHEMBL10444896 0.80 NOS2 (0.52) NOS3NOS1NOS2RIOK2PKM
SCHEMBL12883355 0.77 NOS2 (0.48) NOS3NOS1NOS2RIOK2PKM
SCHEMBL14270718 0.77 NOS3 (0.48) NOS3NOS1NOS2RIOK2PKM
SCHEMBL13950725 0.77 RIOK2 (0.49) NOS3NOS1NOS2RIOK2PKM

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
US-9359329-B2 Derivatives of 2-pyridin-2-yl-pyrazol-3(2H)-one, preparation and therapeutic use thereof SANOFI (FR) 2016-06-07 US disclosed
US-20160137627-A9 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2016-05-19 US disclosed
US-20140194470-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-07-10 US disclosed
US-8697731-B2 Derivatives of 2-pyridin-2-yl-pyrazol-3(2H)-one, preparation and therapeutic use thereof SANOFI (FR) 2014-04-15 US disclosed
CN-101613344-B Fluorescent probe for selectively detecting zinc ions in cells and synthetic method and application thereof CHINESE ACAD TECH INST PHYSICS 2012-09-12 CN disclosed
EP-2086973-B1 IMIDAZO- AND TRIAZOLO-PYRIDINE COMPOUNDS AND METHODS OF USE THEROF AMGEN INC (US) 2012-01-25 EP disclosed
CN-102333776-A Derivatives of 2-pyridin-2-yl-pyrazol-3(2h)-one, preparation and therapeutic use thereof SANOFI AVENTIS 2012-01-25 CN disclosed
US-20110301148-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-08 US disclosed
EP-2382215-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-02 EP disclosed
WO-2010076525-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 WO disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed
CN-101613344-A Fluorescent probe for selectively detecting zinc ions in cells and synthetic method and application thereof CHINESE ACAD TECH INST PHYSICS 2009-12-30 CN 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 (3 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-20160137627-A9 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF NR3C2, NR3C1, NR5A2 NOS3 561/4885NOS1 1147/4885NOS2 1069/4885
US-20140194470-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF NR3C2, NR3C1, NR5A2 NOS3 561/4885NOS1 1147/4885NOS2 1069/4885
US-20110301148-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF NR3C2, NR3C1, NR5A2 NOS3 561/4885NOS1 1147/4885NOS2 1069/4885

“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.