SCHEMBL2801645

SCHEMBL2801645

CS(=O)(=O)Nc1c[nH]nc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.37
NEU3 Q9UQ49 1/20 0.36
MEN1 O00255 1/20 0.35
CCR2 P41597 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCL1 Q07820 1/20 0.35
PTGES O14684 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
HTT P42858 1/20 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
SCHEMBL5269326 0.84 KDM4E (0.42) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL5269316 0.79 CSNK2A1 (0.52) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL10240090 0.78 KDM4C (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5273232 0.77 L3MBTL1 (0.36) MMP2HPGDKMT2AMEN1L3MBTL1
SCHEMBL5268993 0.76 ALDH1A1 (0.54) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL5266576 0.76 LMNA (0.48) ALDH1A1HPGDSMN1; SMN2KMT2ATSHR
SCHEMBL5269683 0.75 RAB9A (0.51) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL2802724 0.75 HCAR3 (0.38) KDM4ESMN1; SMN2
SCHEMBL2801403 0.75 HSD17B10 (0.38) KDM4EHSD17B10ALDH1A1HPGDKMT2A
SCHEMBL956163 0.74 PLA2G7 (0.48) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1

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 41 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
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-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-1845974-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
EP-1845975-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS Astex Therapeutics Limited (GB) 2007-10-24 EP 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-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077428-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077425-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
EP-1651612-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) 2006-05-03 EP disclosed
WO-2005012256-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) 2005-02-10 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-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 MMP2 2054/4885KDM4E 2101/4885HSD17B10 2704/4885
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 MMP2 2850/4885KDM4E 1983/4885HSD17B10 1701/4885
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 MMP2 2598/4885KDM4E 1287/4885HSD17B10 1218/4885

“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.