SCHEMBL13408166

SCHEMBL13408166

CC(C)n1cnc2c(NCc3cccc(Cl)c3)nc(N[C@@H](C)[C@@H](C)O)nc21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.82
CDK9 P50750 5/20 0.82
CDK1 P06493 13/20 0.64
CDK7 P50613 7/20 0.64
CCNE1 P24864 7/20 0.64
CDK5 Q00535 7/20 0.64
CCNB1 P14635 6/20 0.64
CDK4 P11802 5/20 0.64
CCNH P51946 5/20 0.64
CCND1 P24385 4/20 0.64
MAPK1 P28482 3/20 0.64
CCNB2 O95067 2/20 0.62
CCNB3 Q8WWL7 2/20 0.62
CDK3 Q00526 1/20 0.61
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.61
MAPT P10636 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
CCNT1 O60563 1/20 0.59
CDK5R1 Q15078 1/20 0.59

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
SCHEMBL3302130 0.90 CDK2 (1.00) CDK2CDK9CDK1CDK7CCNE1
SCHEMBL3677785 0.90 CDK2 (1.00) CDK2CDK9CDK1CDK7CCNE1
SCHEMBL13638275 0.88 CDK1 (0.80) CDK2CDK9CDK1CDK7CCNE1
SCHEMBL7526656 0.87 CDK1 (0.82) CDK2CDK9CDK1CDK7CCNE1
SCHEMBL6821050 0.84 CDK1 (0.79) CDK2CDK9CDK1CDK5CCNB1
SCHEMBL14396823 0.84 CDK2 (0.81) CDK2CDK9CDK1CDK7CCNE1
SCHEMBL14396818 0.84 CDK2 (0.81) CDK2CDK9CDK1CDK7CCNE1
SCHEMBL14396820 0.84 CDK2 (0.81) CDK2CDK9CDK1CDK7CCNE1
SCHEMBL3295975 0.82 CDK2 (0.66) CDK2CDK9CDK1CDK7CCNE1
SCHEMBL7808309 0.80 CCNE1 (0.78) CDK2CDK1CDK7CCNE1CDK5

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-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 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-20100093769-A1 COMPOUNDS CCR9, NPY1R, BCL9 CDK2 1751/4885CDK9 57/4885CDK1 512/4885

“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.