SCHEMBL13996348

SCHEMBL13996348

COc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCC(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 3/20 0.45
▸ CCNT1 O60563 2/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ CDK5R1 Q15078 2/20 0.45
▸ CDK2 P24941 6/20 0.44
▸ CCNA2 P20248 4/20 0.44
▸ CDK14 O94921 11/20 0.44
▸ CCNY Q8ND76 11/20 0.44
▸ CDK1 P06493 2/20 0.43
▸ CCNB1 P14635 2/20 0.43
▸ CCNA1 P78396 2/20 0.43
▸ CDK4 P11802 2/20 0.43
▸ CASK O14936 1/20 0.43
▸ CDKL5 O76039 1/20 0.43
▸ CCNB2 O95067 1/20 0.43
▸ MAK P20794 1/20 0.43
▸ CDK11B P21127 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CCND3 P30281 1/20 0.43

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
SCHEMBL8263074 0.91 CDK5 (0.44) CDK5CCNT1CDK9CDK5R1CDK2
SCHEMBL8219404 0.89 CCNA2 (0.57) CDK2CCNA2CDK14CCNYCDK1
SCHEMBL1286730 0.89 CCNA2 (0.57) CDK2CCNA2CDK14CCNYCDK1
SCHEMBL13996264 0.89 CCNA2 (0.57) CDK2CCNA2CDK14CCNYCDK1
SCHEMBL8263073 0.87 CDK14 (0.41) CDK5CCNT1CDK9CDK5R1CDK2
SCHEMBL8262275 0.86 CDK2 (0.56) CDK5CCNT1CDK9CDK5R1CDK2
SCHEMBL13996346 0.86 CDK2 (0.56) CDK5CCNT1CDK9CDK5R1CDK2
SCHEMBL13993606 0.86 CDK14 (0.46) CDK5CCNT1CDK9CDK5R1CDK2
SCHEMBL8263999 0.86 CDK14 (0.52) CDK2CDK14CCNYCDK1CDK4
SCHEMBL8226050 0.84 RAB9A (0.47) MAPTTAS1R3TAS1R1TAS1R2

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 1 patent. 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

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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