SCHEMBL2801719

SCHEMBL2801719

Cn1cc(CC(=O)Nc2c[nH]nc2C(=O)O)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
S1PR2 O95136 1/20 0.55
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
PTPN5 P54829 1/20 0.54
GLS O94925 3/20 0.51
GAA P10253 2/20 0.51
DUSP3 P51452 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL3935402 0.91 MEN1 (0.53) KDM4EMAPTALDH1A1LMNAS1PR2
SCHEMBL955030 0.84 MEN1 (0.55) KDM4EMAPTALDH1A1LMNAS1PR2
SCHEMBL2930131 0.77 MAPT (0.55) KDM4EMAPTALDH1A1LMNAHTT
SCHEMBL2802506 0.76 SMN1; SMN2 (0.55) KDM4EALDH1A1LMNAHTTGAA
SCHEMBL7505133 0.73 KDM4E (0.67) KDM4EMAPTALDH1A1LMNATSHR
SCHEMBL29623334 0.71 GPR84 (0.62) KDM4EMAPTALDH1A1LMNAPTPN5
SCHEMBL341492 0.71 GPR84 (0.62) KDM4EMAPTALDH1A1LMNAPTPN5
SCHEMBL8804773 0.70 PTPN5 (0.64) KDM4EMAPTALDH1A1LMNAS1PR2
SCHEMBL4012453 0.70 KDM4E (0.65) KDM4EMAPTALDH1A1LMNAS1PR2
SCHEMBL31498840 0.70 KDM4E (0.65) KDM4EMAPTALDH1A1LMNAS1PR2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051278-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2015-06-09 US disclosed
US-20140371213-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS ASTEX THERAPEUTICS, LTD. (GB) 2014-12-18 US disclosed
US-8779147-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2014-07-15 US disclosed
US-8404718-B2 Combinations of pyrazole kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2013-03-26 US disclosed
EP-1651612-B9 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LTD (GB) 2012-09-05 EP disclosed
US-20120213791-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS ASTEX THERAPEUTICS, LTD. (GB) 2012-08-23 US disclosed
CN-101146532-B Pharmaceutical compounds ASTEX THERAPEUTICS LTD 2012-05-09 CN disclosed
US-8080666-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2011-12-20 US disclosed
EP-2256106-A1 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinases (CDK) and glycogen synthase kinase-3 (GSK-3) modulators Astex Therapeutics Limited (GB) 2010-12-01 EP disclosed
US-7825140-B2 Utilizing such as 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide against cancer growth ASTEX THERAPEUTICS, LTD. (GB) 2010-11-02 US disclosed
US-20080161355-A1 Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents ASTEX THERAPEUTICS LIMITED (UK) 2008-07-03 US disclosed
US-20080161251-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2008-07-03 US disclosed
US-7385059-B2 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections ASTEX THERAPEUTICS LIMITED (GB) 2008-06-10 US disclosed
CN-101146532-A Pharmaceutical compounds ASTEX THERAPEUTICS LTD (GB) 2008-03-19 CN disclosed
CN-101146533-A Combinations of pyrazole kinase inhibitors and further antitumor agents ASTEX THERAPEUTICS LTD (GB) 2008-03-19 CN disclosed
CN-101146531-A Pharmaceutical compounds ASTEX THERAPEUTICS LTD (GB) 2008-03-19 CN disclosed
WO-2008009954-A1 MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-24 WO disclosed
EP-1845974-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
US-20060194843-A1 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections; 4-(2,6-difluoro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methyl-piperidin-4-yl)-amide ASTEX THERAPEUTICS LIMITED (GB) 2006-08-31 US disclosed
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 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 (5 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-20060194843-A1 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections; 4-(2,6-difluoro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methyl-piperidin-4-yl)-amide CDK1, CDK3, ROS1 KDM4E 2101/4885MAPT 3442/4885ALDH1A1 3745/4885
US-20080161355-A1 Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents ROS1, CDK9, GRK4 KDM4E 755/4885MAPT 3385/4885ALDH1A1 3619/4885
US-20120213791-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS CDK3, CDK1, CDKL3 KDM4E 1983/4885MAPT 482/4885ALDH1A1 3065/4885
US-20080161251-A1 Pharmaceutical Compounds HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR4A1 KDM4E 940/4885MAPT 1112/4885ALDH1A1 3435/4885
US-20140371213-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS CDK1, CDK3, CDK13 KDM4E 1287/4885MAPT 2110/4885ALDH1A1 3282/4885

“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.