SCHEMBL3589567

SCHEMBL3589567

O=C(Nc1cn(C2CCCCO2)nc1CO)c1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.40
CCNA2 P20248 6/20 0.40
CDK1 P06493 5/20 0.40
CCNB1 P14635 5/20 0.40
BCL3 P20749 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CD274 Q9NZQ7 1/20 0.37
CCNA1 P78396 1/20 0.36
PIM1 P11309 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ABL1 P00519 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRACR2A Q9BSW2 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3587966 0.88 TYK2 (0.40) CDK2CCNA2CDK1CCNB1MEN1
SCHEMBL8273357 0.84 CCNA2 (0.39) CDK2CCNA2CDK1CCNB1BCL3
SCHEMBL1645038 0.84 CDK2 (0.40) CDK2CCNA2CDK1CCNB1BCL3
SCHEMBL3579675 0.84 CDK2 (0.40) CDK2CCNA2CDK1CCNB1BCL3
SCHEMBL3583086 0.82 CDK2 (0.39) CDK2CCNA2CDK1CCNB1BCL3
SCHEMBL5578211 0.77 ABL1 (0.34) CDK2CCNA2CDK1CCNB1BCL3
SCHEMBL25179442 0.77 CYP4F2 (0.37) CD274ABL1
SCHEMBL5578485 0.77 NPC1 (0.41) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL5812270 0.76 ABL1 (0.34) CD274ABL1
SCHEMBL5578323 0.75 MAPK14 (0.37) CDK2CCNA2CDK1CCNB1MEN1

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 16 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
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-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2008-01-03 US disclosed
US-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2008-01-03 US disclosed
US-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2008-01-03 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
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
EP-1781653-A1 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS Astex Therapeutics Limited (GB) 2007-05-09 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
EP-1648449-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2006003440-A1 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-12 WO disclosed
WO-2006003440-A1 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-12 WO disclosed
WO-2005002576-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 CDK2 8/4885CCNA2 47/4885CDK1 1/4885
US-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors CDK3, CDK1, GSK3B CDK2 13/4885CCNA2 64/4885CDK1 2/4885
US-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 CDK2 5/4885CCNA2 37/4885CDK1 3/4885

“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.