At-7519

At-7519

SCHEMBL1069453

CC(=O)O.O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CDK1CDK10CDK11BCDK12CDK13CDK14CDK15CDK16CDK17CDK18CDK19CDK2CDK20CDK3CDK4CDK5CDK6CDK7CDK8CDK9

The experimentally established mechanism targets of At-7519. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 known ✓ Q00535 3/20 0.62
CDK9 known ✓ P50750 2/20 0.62
CDK14 known ✓ O94921 13/20 0.59
CDK2 known ✓ P24941 6/20 0.59
CDK4 known ✓ P11802 2/20 0.59
CDK1 known ✓ P06493 2/20 0.59
CDK11B known ✓ P21127 1/20 0.59
CDK7 known ✓ P50613 1/20 0.59
CDK3 known ✓ Q00526 1/20 0.59
CDK6 known ✓ Q00534 1/20 0.59
CDK16 known ✓ Q00536 1/20 0.59
CDK17 known ✓ Q00537 1/20 0.59
CDK18 known ✓ Q07002 1/20 0.59
CDK13 known ✓ Q14004 1/20 0.59
CDK15 known ✓ Q96Q40 1/20 0.59
CDK19 known ✓ Q9BWU1 1/20 0.59
CDK12 known ✓ Q9NYV4 1/20 0.59
CCNT1 O60563 2/20 0.62
CDK5R1 Q15078 2/20 0.62
CCNY Q8ND76 13/20 0.59

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
At-7519 SCHEMBL955568 0.96 CDK5 (0.67) CDK5CCNT1CDK9CDK5R1CDK14
At-7519 SCHEMBL953647 0.95 CDK5 (0.66) CDK5CCNT1CDK9CDK5R1CDK14
At-7519 SCHEMBL31046986 0.95 CDK5 (0.66) CDK5CCNT1CDK9CDK5R1CDK14
At-7519 SCHEMBL16318377 0.93 CDK5 (0.61) CDK5CCNT1CDK9CDK5R1CDK14
At-7519 SCHEMBL1072294 0.93 CDK5 (0.61) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL8044614 0.92 CDK5 (0.60) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL1286740 0.89 CDK2 (0.67) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL1286739 0.85 CDK5 (0.53) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL8263051 0.85 CDK14 (0.52) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL1286714 0.84 CDK5 (0.53) CDK5CCNT1CDK9CDK5R1CDK14

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-1846393-B1 4-(2,6-DICHLOROBENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID PIPERIDIN-4-YLAMIDE ACID ADDITION SALTS AS KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2020-02-19 EP disclosed
EP-1845973-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2015-08-12 EP disclosed
US-8404718-B2 Combinations of pyrazole kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2013-03-26 US disclosed
US-8293767-B2 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide acid addition salts as kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2012-10-23 US disclosed
US-20110274616-A1 4-(2,6-DICHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID PIPERIDIN-4-YLAMIDE ACID ADDITION SALTS AS KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-11-10 US disclosed
US-8013163-B2 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide acid addition salts as kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2011-09-06 US disclosed
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-30 US disclosed
US-20110002879-A1 Combinations of Pyrazole Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2011-01-06 US disclosed
US-20100021420-A1 COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S ASTEX THERAPEUTICS LIMITED (GB) 2010-01-28 US disclosed
US-20090318430-A1 MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2009-12-24 US 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-2008001101-A2 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-03 WO disclosed
EP-1845974-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
EP-1846393-A2 4-(2,6-DICHLOROBENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID PIPERIDIN-4-YLAMIDE ACID ADDITION SALTS AS KINASE INHIBITORS 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
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-2006077426-A2 4- (2, 6-DICHLOROBENZOYLAMINO) -lH-PYRAZOLE-3 -CARBOXYLIC ACID PIPERIDIN- 4 -YLAMID ACID ADDITION SALTS AS KINASE INHIBITORS 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

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-20110274616-A1 4-(2,6-DICHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID PIPERIDIN-4-YLAMIDE ACID ADDITION SALTS AS KINASE INHIBITORS MAP4K2, MAPKAPK2, MAP4K1 CDK5 49/4885CDK9 150/4885CDK14 295/4885
US-20090318430-A1 MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS CDK1, CCNO, CDK14 CDK5 24/4885CDK9 41/4885CDK14 3/4885
US-20100021420-A1 COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S CDK9, CDK1, CDK19 CDK5 24/4885CDK9 1/4885CDK14 6/4885
US-20110002879-A1 Combinations of Pyrazole Kinase Inhibitors ERBB4, GRK4, ROS1 CDK5 180/4885CDK9 94/4885CDK14 10/4885
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS SLC10A1, CYP11B2, SDHB CDK5 1513/4885CDK9 1753/4885CDK14 1723/4885

“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.