SCHEMBL1286714

SCHEMBL1286714

CN1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.53
CCNT1 O60563 2/20 0.53
CDK9 P50750 2/20 0.53
CDK5R1 Q15078 2/20 0.53
CDK14 O94921 13/20 0.48
CCNY Q8ND76 13/20 0.48
CDK2 P24941 3/20 0.48
DYRK1A Q13627 3/20 0.48
CDK4 P11802 2/20 0.48
CCNA1 P78396 2/20 0.48
CASK O14936 1/20 0.48
CDKL5 O76039 1/20 0.48
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
MAK P20794 1/20 0.48
CDK11B P21127 1/20 0.48
CCND1 P24385 1/20 0.48
CCNE1 P24864 1/20 0.48

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
SCHEMBL8222686 0.93 CCNA2 (0.52) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL13993603 0.91 CCNT1 (0.42) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL8262703 0.90 CDK14 (0.52) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL8263051 0.90 CDK14 (0.52) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL13934387 0.90 CDK5 (0.48) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL8219073 0.89 P2RX7 (0.51) CDK5CCNT1CDK9CDK5R1DYRK1A
SCHEMBL24413802 0.89 CDK5 (0.48) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL24757744 0.89 CDK14 (0.49) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL24333895 0.89 CDK5 (0.48) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL3936062 0.89 CDK14 (0.52) 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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744896-B2 Compositions, use, and method for CDK2-PROTACs for cancer therapy and hearing loss CREIGHTON UNIVERSITY (US) 2023-09-05 US disclosed
WO-2023083900-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY TUBULIS GMBH (DE) 2023-05-19 WO disclosed
WO-2022266491-A1 PROTEOLYSIS TARGETING CHIMERAS AND POLYPHARMACOLOGICAL AGENTS TARGETING BCL-2, AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-12-22 WO disclosed
US-20220096642-A1 COMPOSITIONS, USE, AND METHOD FOR CDK2-PROTACS FOR CANCER THERAPY AND HEARING LOSS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2022-03-31 US disclosed
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
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-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-20080161355-A1 Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents ASTEX THERAPEUTICS LIMITED (UK) 2008-07-03 US 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
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
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
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
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 (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-20080161355-A1 Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents ROS1, CDK9, GRK4 CDK5 136/4885CCNT1 316/4885CDK9 2/4885
US-20220096642-A1 COMPOSITIONS, USE, AND METHOD FOR CDK2-PROTACS FOR CANCER THERAPY AND HEARING LOSS CDK2, CDK20, CDK2AP2 CDK5 17/4885CCNT1 48/4885CDK9 24/4885
US-11744896-B2 Compositions, use, and method for CDK2-PROTACs for cancer therapy and hearing loss CDK2, CDK20, CDK2AP2 CDK5 17/4885CCNT1 48/4885CDK9 24/4885
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 CDK5 35/4885CCNT1 37/4885CDK9 36/4885

“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.