SCHEMBL2801225

SCHEMBL2801225

O=C(Nc1c[nH]nc1C(=O)O)c1ccco1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
RAB9A P51151 1/20 0.51
TSHR P16473 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
ESR2 Q92731 1/20 0.50
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
ATM Q13315 1/20 0.48
GAA P10253 2/20 0.47
HDAC1 Q13547 1/20 0.47
PKM P14618 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47

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
SCHEMBL953727 0.81 RAB9A (0.54) KMT2ARAB9ATSHRMAPTSMN1; SMN2
SCHEMBL4287274 0.79 ALDH1A1 (0.44) KMT2ARAB9ATSHRKDM4ECYP1A2
SCHEMBL2801723 0.78 KMT2A (0.54) KMT2ARAB9ACYP1A2MAPTMEN1
SCHEMBL8263064 0.76 ALDH1A1 (0.46) KMT2ARAB9ATSHRKDM4EMAPT
SCHEMBL2803397 0.76 SMN1; SMN2 (0.46) KMT2ARAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL2802506 0.74 SMN1; SMN2 (0.55) KMT2ARAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL955039 0.73 MEN1 (0.49) KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL27696959 0.73 HDAC3 (0.40) RAB9AKDM4EHSD17B10MAPK1HDAC1
SCHEMBL4284371 0.73 HDAC1 (0.52) KMT2ARAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL954955 0.73 KMT2A (0.51) KMT2ARAB9AMEN1

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 37 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
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-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
CN-101146532-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
WO-2008007122-A2 COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008007113-A2 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
EP-1845974-A1 PHARMACEUTICAL COMPOUNDS 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

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 KMT2A 1747/4885RAB9A 4195/4885TSHR 1205/4885
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 KMT2A 2473/4885RAB9A 3955/4885TSHR 4096/4885
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 KMT2A 1833/4885RAB9A 4431/4885TSHR 1144/4885

“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.