SCHEMBL3583086

SCHEMBL3583086

CC(O)c1nn(C2CCCCO2)cc1NC(=O)c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.39
CCNA2 P20248 6/20 0.39
CDK1 P06493 5/20 0.39
CCNB1 P14635 5/20 0.39
PIM1 P11309 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ABL1 P00519 1/20 0.36
MAPT P10636 1/20 0.35
CCNA1 P78396 1/20 0.35
BCL3 P20749 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CD274 Q9NZQ7 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
SCHEMBL3579675 0.84 CDK2 (0.40) CDK2CCNA2CDK1CCNB1PIM1
SCHEMBL8273357 0.83 CCNA2 (0.39) CDK2CCNA2CDK1CCNB1PIM1
SCHEMBL1645038 0.82 CDK2 (0.40) CDK2CCNA2CDK1CCNB1PIM1
SCHEMBL3589567 0.82 CDK2 (0.40) CDK2CCNA2CDK1CCNB1PIM1
SCHEMBL5578327 0.76 ABL1 (0.39) CDK2CCNA2CDK1CCNB1PIM1
SCHEMBL5578320 0.75 ABL1 (0.37) CDK2CCNA2CDK1CCNB1PIM1
SCHEMBL5578211 0.75 ABL1 (0.34) CDK2CCNA2CDK1CCNB1PIM1
SCHEMBL5578323 0.74 MAPK14 (0.37) CDK2CCNA2CDK1CCNB1MEN1
SCHEMBL18209776 0.73 ABL1 (0.39) ABL1CD274
SCHEMBL14511688 0.72 BRAF (0.32) 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 5 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
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 CDK2 8/4885CCNA2 47/4885CDK1 1/4885

“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.