SCHEMBL8263078

SCHEMBL8263078

O=C(NC1CCS(=O)(=O)CC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 3/20 0.51
▸ CCNT1 O60563 2/20 0.51
▸ CDK9 P50750 2/20 0.51
▸ CDK5R1 Q15078 2/20 0.51
▸ CDK14 O94921 13/20 0.48
▸ CCNY Q8ND76 13/20 0.48
▸ CDK2 P24941 4/20 0.48
▸ CDK4 P11802 2/20 0.48
▸ CCNA1 P78396 2/20 0.48
▸ CCNA2 P20248 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ CASK O14936 1/20 0.48
▸ CDKL5 O76039 1/20 0.48
▸ CCNB2 O95067 1/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ CCNB1 P14635 1/20 0.48
▸ MAK P20794 1/20 0.48
▸ CDK11B P21127 1/20 0.48
▸ CCND1 P24385 1/20 0.48
▸ CCNE1 P24864 1/20 0.48

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
At-7519 SCHEMBL955568 0.87 CDK5 (0.67) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL1286714 0.86 CDK5 (0.53) CDK5CCNT1CDK9CDK5R1CDK14
At-7519 SCHEMBL953647 0.86 CDK5 (0.66) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL13993707 0.86 CDK5 (0.52) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL13993691 0.86 CDK5 (0.52) CDK5CCNT1CDK9CDK5R1CDK14
At-7519 SCHEMBL31046986 0.86 CDK5 (0.66) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL12000442 0.84 CDK5 (0.50) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL12050653 0.84 CDK5 (0.50) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL13993706 0.84 CDK5 (0.50) CDK5CCNT1CDK9CDK5R1CDK14
At-7519 SCHEMBL1069453 0.83 CDK5 (0.62) CDK5CCNT1CDK9CDK5R1CDK14

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 CDK5 39/4885CCNT1 48/4885CDK9 15/4885

“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.

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