SCHEMBL13756834

SCHEMBL13756834

CN(C)c1ccc(Nc2ncc3c(n2)N(c2ccc(S(C)(=O)=O)cc2)CC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.43
▸ CDK1 P06493 5/20 0.43
▸ CCNB1 P14635 4/20 0.43
▸ CDK4 P11802 4/20 0.43
▸ CCNE1 P24864 4/20 0.43
▸ CCNT1 O60563 3/20 0.43
▸ CDK9 P50750 3/20 0.43
▸ CCND1 P24385 2/20 0.43
▸ CDK7 P50613 2/20 0.43
▸ CCNH P51946 2/20 0.43
▸ CCNB2 O95067 2/20 0.42
▸ CDK5 Q00535 2/20 0.42
▸ CDK5R1 Q15078 2/20 0.42
▸ CCNB3 Q8WWL7 2/20 0.42
▸ CCNE2 O96020 2/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ MARK3 P27448 1/20 0.41
▸ STK3 Q13188 1/20 0.41

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
SCHEMBL13756756 0.88 PTGS2 (0.48) CDK2CDK1CCNB1CDK4CCNE1
SCHEMBL13756693 0.88 PTGS2 (0.47) CDK2CDK1CCNB1CDK4CCNE1
SCHEMBL13756691 0.86 AURKA (0.54) CDK4AURKAPTK2JAK2JAK3
SCHEMBL13756753 0.86 FGFR4 (0.50) CDK5CDK5R1PTGS2MAPTPTK2
SCHEMBL13756846 0.85 CDK2 (0.44) CDK2CDK1CCNB1CDK4CCNE1
SCHEMBL13756828 0.83 TTK (0.53) STAT6PTK2JAK2JAK3KCNH2
SCHEMBL13756755 0.81 PTK2 (0.48) CDK2CDK5CDK5R1CCNA2MAPT
SCHEMBL13756752 0.81 BRD4 (0.49) PTGS1PTGS2MAPT
SCHEMBL13756751 0.80 JAK2 (0.43) CDK2CDK1CCNB1CDK4CCNE1
SCHEMBL13756800 0.79 CDK2 (0.46) CDK2CDK1CCNB1CDK4CCNE1

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-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 CDK2 77/4885CDK1 89/4885CCNB1 1108/4885

“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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