SCHEMBL2569291

SCHEMBL2569291

COc1ccnc(-n2[nH]c3c(c2=O)CSC3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 5/20 0.44
PARP1 P09874 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
KDM5A P29375 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM5B Q9UGL1 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 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
SCHEMBL2568095 0.81 GRIN2D (0.38) SLC11A2KDM5AKDM4CKDM2BKDM5B
SCHEMBL30356814 0.64 CCR1 (0.50) PARP1CCR1CCR5CCR8MEN1
SCHEMBL17310064 0.62 LRRK2 (0.58) PARP1CCR1CCR5CCR8GAA
SCHEMBL8249813 0.62 VHL (0.69)
SCHEMBL2876435 0.62 NCF1 (0.58) CCR1CCR5CCR8HRH3
SCHEMBL24920393 0.61 CCR1 (0.53) CCR1CCR5CCR8MAPTRAB9A
Hydrochloric Acid SCHEMBL31061466 0.61 NCF1 (0.57) CCR1CCR5CCR8HRH3
SCHEMBL21274954 0.60 CCR1 (0.52) CCR1CCR5CCR8MAPTRAB9A
SCHEMBL30839382 0.60 CCR1 (0.52) CCR1CCR5CCR8MAPTNOS3
SCHEMBL30230148 0.60 HRH4 (0.56) CCR1CCR5CCR8MAPTNOS3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697731-B2 Derivatives of 2-pyridin-2-yl-pyrazol-3(2H)-one, preparation and therapeutic use thereof SANOFI (FR) 2014-04-15 US claimed
US-20110301148-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-08 US claimed
EP-2382215-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-02 EP claimed
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 claimed
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-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-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-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
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
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

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 SLC11A2 1916/4885PARP1 3347/4885CCR1 194/4885
US-20140194470-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF NR3C2, NR3C1, NR5A2 SLC11A2 1916/4885PARP1 3347/4885CCR1 194/4885
US-20110301148-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF NR3C2, NR3C1, NR5A2 SLC11A2 1916/4885PARP1 3347/4885CCR1 194/4885

“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.