SCHEMBL2569636

SCHEMBL2569636

COC1CCc2c1[nH]n(-c1ccccn1)c2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
SLC11A2 P49281 14/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CYBB P04839 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
GRM7 Q14831 1/20 0.41
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL2567610 0.70 GABRA1 (0.59) GAAMAPK1SLC11A2GABRA1GABRG2
SCHEMBL15867499 0.70 PTPN1 (0.32)
SCHEMBL2565341 0.67 GAA (0.52) GAAMAPK1SLC11A2GABRA1GABRG2
SCHEMBL2571006 0.67 SLC11A2 (0.52) GAAMAPK1SLC11A2GABRA1GABRG2
SCHEMBL11411739 0.65 GAA (1.00) GAAMAPK1SLC11A2GABRA1GABRG2
SCHEMBL14041252 0.64 SLC11A2 (0.94) GAAMAPK1SLC11A2KDM4EALKBH3
SCHEMBL15258876 0.63 KDM4E (0.67) GAAMAPK1SLC11A2KDM4ECYBB
SCHEMBL15258848 0.63 KDM4E (0.78) SLC11A2KDM4ECYBBNOX4NOX1
SCHEMBL2571554 0.62 KDM4E (1.00) GAAMAPK1SLC11A2KDM4ECYBB
SCHEMBL10551890 0.62 SLC11A2 (1.00) GAAMAPK1SLC11A2KDM4ECYBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137627-A9 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2016-05-19 US claimed
US-20140194470-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-07-10 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-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
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

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 GAA 4768/4885MAPK1 2856/4885SLC11A2 1916/4885
US-20140194470-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF NR3C2, NR3C1, NR5A2 GAA 4768/4885MAPK1 2856/4885SLC11A2 1916/4885
US-20110301148-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF NR3C2, NR3C1, NR5A2 GAA 4768/4885MAPK1 2856/4885SLC11A2 1916/4885

“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.