SCHEMBL13993707

SCHEMBL13993707

O=C(NC1CCOCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 3/20 0.52
▸ CCNT1 O60563 2/20 0.52
▸ CDK9 P50750 2/20 0.52
▸ CDK5R1 Q15078 2/20 0.52
▸ CDK14 O94921 12/20 0.49
▸ CCNY Q8ND76 12/20 0.49
▸ CDK2 P24941 4/20 0.49
▸ CDK4 P11802 2/20 0.49
▸ CCNA1 P78396 2/20 0.49
▸ CCNA2 P20248 2/20 0.49
▸ DYRK1A Q13627 2/20 0.49
▸ GSK3B P49841 2/20 0.49
▸ CASK O14936 1/20 0.49
▸ CDKL5 O76039 1/20 0.49
▸ CCNB2 O95067 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ MAK P20794 1/20 0.49
▸ CDK11B P21127 1/20 0.49
▸ CCND1 P24385 1/20 0.49

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
SCHEMBL13934402 0.91 CDK5 (0.46) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL8262984 0.88 CDK14 (0.49) CDK5CCNT1CDK9CDK5R1CDK14
At-7519 SCHEMBL955568 0.88 CDK5 (0.67) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL8262439 0.87 CDK14 (0.46) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL1286693 0.87 CDK2 (0.50) CDK2CCNA1CCNA2DYRK1AGSK3B
SCHEMBL13993691 0.87 CDK5 (0.52) CDK5CCNT1CDK9CDK5R1CDK14
At-7519 SCHEMBL31046986 0.87 CDK5 (0.66) CDK5CCNT1CDK9CDK5R1CDK14
At-7519 SCHEMBL953647 0.87 CDK5 (0.66) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL8261517 0.87 CDK5 (0.48) CDK5CCNT1CDK9CDK5R1CDK14
SCHEMBL8263063 0.87 CDK14 (0.45) 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 2 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

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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