SCHEMBL8264010

SCHEMBL8264010

COc1cccc(C)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
CDK14 O94921 8/20 0.43
CCNY Q8ND76 8/20 0.43
CDK2 P24941 2/20 0.43
CCNA2 P20248 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
HPGDS O60760 1/20 0.41
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL8262590 0.93 MEN1 (0.45) CDK14CCNYALDH1A1MEN1KMT2A
SCHEMBL8263999 0.90 CDK14 (0.52) GLATSHRCDK14CCNYCDK2
SCHEMBL8261463 0.90 CDK2 (0.52) GLATSHRCDK14CCNYCDK2
SCHEMBL13993660 0.89 LMNA (0.46) CDK14CCNYCDK2CCNA2ALDH1A1
SCHEMBL13993689 0.85 CDK2 (0.50) GLATSHRCDK14CCNYCDK2
SCHEMBL13993702 0.85 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDS
SCHEMBL2029686 0.84 CDK14 (0.48) CDK14CCNYCDK2CCNA2ALDH1A1
SCHEMBL1286715 0.84 CDK2 (0.46) TSHRCDK14CCNYCDK2CCNA2
SCHEMBL1286748 0.83 CCNA2 (0.46) TSHRCDK2CCNA2ALDH1A1MEN1
SCHEMBL13993677 0.83 ALDH1A1 (0.42) TSHRALDH1A1MEN1KMT2AGAA

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 3 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 disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US 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 GLA 3297/4885TSHR 866/4885CDK14 8/4885

“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.