SCHEMBL5380195

SCHEMBL5380195

O=C(Nc1cn(C2CCCCO2)nc1-c1cnco1)c1c(Cl)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.37
TYK2 P29597 4/20 0.37
ABL1 P00519 1/20 0.36
DGAT2 Q96PD7 1/20 0.35
CDK14 O94921 4/20 0.35
CCNY Q8ND76 4/20 0.35
CASK O14936 1/20 0.35
CCNT1 O60563 1/20 0.35
CDKL5 O76039 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
MAK P20794 1/20 0.35
CDK11B P21127 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35

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
SCHEMBL3588629 0.79 JAK2 (0.40) JAK2TYK2DGAT2CDK14CCNY
SCHEMBL3587966 0.79 TYK2 (0.40) JAK2TYK2DGAT2CDK14CCNY
SCHEMBL3583397 0.78 POLB (0.42) JAK2TYK2ABL1DGAT2CDK14
SCHEMBL13314727 0.72 TAS1R3 (0.39) JAK2TYK2ABL1DGAT2PTGES
SCHEMBL3591678 0.69 JAK2 (0.42) JAK2TYK2CDK14CCNYCASK
SCHEMBL3579675 0.68 CDK2 (0.40) ABL1CDK1CCNB1CCNA2CDK2
SCHEMBL1645038 0.68 CDK2 (0.40) JAK2TYK2ABL1CDK1CCNB1
SCHEMBL3589567 0.68 CDK2 (0.40) JAK2TYK2ABL1CDK1CCNB1
SCHEMBL8273357 0.67 CCNA2 (0.39) ABL1CDK1CCNB1CCNA2CDK2
SCHEMBL3583086 0.67 CDK2 (0.39) ABL1CDK1CCNB1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
EP-1836188-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP disclosed
WO-2006070198-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 JAK2 734/4885TYK2 331/4885ABL1 390/4885

“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.