SCHEMBL4995000

SCHEMBL4995000

CC(C)COC(=O)N1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK14 O94921 16/20 0.46
CCNY Q8ND76 16/20 0.46
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
CASK O14936 1/20 0.41
CDKL5 O76039 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
MAK P20794 1/20 0.41
CDK11B P21127 1/20 0.41
CCND1 P24385 1/20 0.41

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
SCHEMBL4994733 0.91 USP2 (0.50) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL8262703 0.89 CDK14 (0.52) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL14091483 0.89 CDK14 (0.47) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL8262702 0.89 CDK14 (0.48) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL5000634 0.89 CNR1 (0.49) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL4997419 0.88 CDK14 (0.46) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL4991704 0.88 CDK14 (0.47) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL22582193 0.88 CNR1 (0.49) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL8261798 0.87 CDK14 (0.49) CDK14CCNYCCNT1CDK9CDK5
SCHEMBL5002711 0.87 CDK14 (0.47) CDK14CCNYCCNT1CDK9CDK5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's ASTEX THERAPEUTICS LIMITED (GB) 2008-08-14 US disclosed
US-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's ASTEX THERAPEUTICS LIMITED (GB) 2008-08-14 US disclosed
US-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's ASTEX THERAPEUTICS LIMITED (GB) 2008-08-14 US disclosed
EP-1853600-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-11-14 EP disclosed
WO-2006077419-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077419-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S 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 (1 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-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's CDK1, CDK3, CDK2 CDK14 25/4885CCNY 42/4885CCNT1 28/4885

“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.