SCHEMBL5006763

SCHEMBL5006763

O=C(O)c1n[nH]cc1NC(=O)c1c(F)ccc(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.40
CCNB1 P14635 4/20 0.40
CCNA2 P20248 4/20 0.40
CDK2 P24941 4/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
POLB P06746 1/20 0.38
CDK14 O94921 6/20 0.38
CCNY Q8ND76 6/20 0.38
MAPK7 Q13164 1/20 0.37
BRAF P15056 1/20 0.36
SORT1 Q99523 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL5011543 0.88 CDK14 (0.36) CDK1CCNB1CCNA2CDK2TAS1R3
SCHEMBL1645592 0.86 JAK2 (0.52) CCNA2CDK2POLBCDK14CCNY
SCHEMBL955039 0.84 MEN1 (0.49) CDK1CCNB1CCNA2CDK2POLB
SCHEMBL5006782 0.83 TTR (0.47) TAS1R3TAS1R1TAS1R2CDK14CCNY
SCHEMBL8261338 0.82 POLB (0.45) CCNA2CDK2TAS1R3TAS1R1TAS1R2
SCHEMBL954955 0.81 KMT2A (0.51) CDK1CCNB1CCNA2CDK2POLB
SCHEMBL5007633 0.79 KMT2A (0.40) CDK1CCNB1CCNA2CDK2POLB
SCHEMBL4488401 0.77 CDK14 (0.48) CDK1CCNB1CCNA2CDK2POLB
SCHEMBL8219606 0.76 TYK2 (0.52) POLBCDK14CCNYTYK2MEN1
SCHEMBL3942467 0.76 CDK2 (0.48) CDK1CCNB1CCNA2CDK2POLB

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-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US claimed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
EP-1846395-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
WO-2006077414-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-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 CDK1 3/4885CCNB1 62/4885CCNA2 20/4885

“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.