SCHEMBL2802595

SCHEMBL2802595

CC1(C(=O)Nc2c[nH]nc2C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 9/20 0.41
▸ BTK Q06187 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ KDM5A P29375 3/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31
▸ FFAR3 O14843 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2802055 0.83 — —
SCHEMBL955326 0.78 NPC1 (0.42) —
SCHEMBL2801403 0.77 HSD17B10 (0.38) TSHRL3MBTL1
SCHEMBL10240090 0.73 KDM4C (0.38) HCAR2
SCHEMBL2802788 0.73 L3MBTL1 (0.40) CETPTSHRL3MBTL1
SCHEMBL15871949 0.73 KDM4E (0.42) L3MBTL1
SCHEMBL15652942 0.73 CETP (0.38) CETPTSHR
SCHEMBL3937442 0.72 CFTR (0.35) —
SCHEMBL2803594 0.71 TP53 (0.38) L3MBTL1
SCHEMBL2803444 0.71 CDK2 (0.37) HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845973-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2015-08-12 — — EP disclosed
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
EP-2256106-B1 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) 2015-05-06 — — EP 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-1826323-B 3, 4-disubstituted 1H-pyrazole compounds and their use as modulators of Cyclin Dependent Kinases (CDKs) and glycogen synthase kinase-3 (GSK-3) ASTEX THERAPEUTICS LTD 2012-06-27 — — CN disclosed
CN-101146532-B Pharmaceutical compounds ASTEX THERAPEUTICS LTD 2012-05-09 — — CN disclosed
US-20080161355-A1 Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents 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-101146533-A Combinations of pyrazole kinase inhibitors and further antitumor agents ASTEX THERAPEUTICS LTD (GB) 2008-03-19 — — CN disclosed
CN-101146532-A Pharmaceutical compounds 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-1845973-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
CN-1826323-A 3, 4-disubstituted 1H-pyrazole compounds and their use as modulators of Cyclin Dependent Kinases (CDKs) and glycogen synthase kinase-3 (GSK-3) ASTEX THERAPEUTICS LTD (GB) 2006-08-30 — — CN disclosed
WO-2006077428-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 (4 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 CETP 4819/4885BTK 1110/4885PARP1 1031/4885
US-20080161355-A1 Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents ROS1, CDK9, GRK4 CETP 4844/4885BTK 286/4885PARP1 1815/4885
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 CETP 4573/4885BTK 646/4885PARP1 821/4885
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 CETP 4786/4885BTK 434/4885PARP1 1680/4885

“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.

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