SCHEMBL14796629

SCHEMBL14796629

O=Cc1c(Cl)c2ccc(Br)cc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.45
METAP2 P50579 1/20 0.45
CYP2A6 P11509 1/20 0.44
PIM3 Q86V86 2/20 0.43
PTGES O14684 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PIM1 P11309 2/20 0.41
CDK9 P50750 2/20 0.41
CDK5 Q00535 2/20 0.41
CAMK2A Q9UQM7 2/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41

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
SCHEMBL29952323 0.79 GSK3B (0.51) GSK3BMETAP2CYP2A6PIM3PTGES
SCHEMBL14339329 0.77 KDM4E (0.50) PARP1CA12CA9
SCHEMBL22128321 0.72 GSK3B (0.51) GSK3BMETAP2CYP2A6PIM3PIM1
SCHEMBL20625430 0.72 DAO (0.48) PARP1
SCHEMBL10153752 0.71 PARP1 (0.56) GSK3BMETAP2PIM3PTGESCYP3A4
SCHEMBL26596718 0.70 GPR17 (0.36)
SCHEMBL16920112 0.69 PIM1 (0.46) GSK3BCYP2A6PIM3CYP2C9CYP2C19
SCHEMBL29951828 0.69 PIM1 (0.46) GSK3BCYP2A6PIM3CYP2C9CYP2C19
SCHEMBL29951207 0.69 GSK3B (0.48) GSK3BMETAP2CYP2A6PIM3PIM1
SCHEMBL29171685 0.68 TP53 (0.47) GSK3BMETAP2PIM3PTGESCYP3A4

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
CN-103012397-B Pyrazolo (E)-3-(3-Acetyl-4-hydroxy-5-methoxy-phenyl)-N-(4-hydroxy-1-methyl-3-octyloxy-2-oxo-1,2-dihydro-quinolin-7-yl)-acrylamide, its preparation method and its therapeutic use 赛诺菲 2017-03-01 CN disclosed
EP-2760841-B1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-24 EP disclosed
US-9169246-B2 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-10-27 US disclosed
EP-2573073-B1 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI SA (FR) 2014-10-22 EP disclosed
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-21 US disclosed
EP-2760841-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-06 EP disclosed
WO-2013045400-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-04-04 WO disclosed
CN-103012397-A Pyrazolo quinolinone derivative and preparation method thereof as well as therapeutic application of derivative SAI NUOFEI 2013-04-03 CN disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 US disclosed
EP-2573073-A1 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-27 EP 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 (2 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-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, COQ8A, CYP1A2 GSK3B 2801/4885METAP2 3886/4885CYP2A6 469/4885
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP1A2, COQ8A GSK3B 2668/4885METAP2 4100/4885CYP2A6 507/4885

“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.