SCHEMBL22493899

SCHEMBL22493899

Nc1nc(OCC2CCCC2)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.43
CCNA2 P20248 7/20 0.40
CCNA1 P78396 7/20 0.40
CDK1 P06493 4/20 0.40
CCNB1 P14635 3/20 0.40
MCHR1 Q99705 3/20 0.40
CCNB2 O95067 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
MEN1 O00255 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
ATR Q13535 1/20 0.40
MAPK3 P27361 1/20 0.38
CLK1 P49759 1/20 0.38
CDK5 Q00535 1/20 0.38
PIN1 Q13526 1/20 0.38
MAP3K5 Q99683 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
THRA P10827 2/20 0.37

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
SCHEMBL13529913 0.81 DCK (0.47) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL13530549 0.80 DCK (0.46) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL20772634 0.74 CNR2 (0.34) CDK2
SCHEMBL13530424 0.74 DCK (0.48)
SCHEMBL3248788 0.73 CDK2 (0.48) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL1697615 0.72 GAA (0.41) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL16294820 0.71 MCHR1 (0.51) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL28275390 0.71 CDK2 (0.42) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3256222 0.70 CDK2 (0.44) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL22235746 0.69 CDK2 (0.46) CDK2MCHR1

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-20200316064-A1 CYCLIN-DEPENDENT KINASE 2 BIOMARKERS AND USES THEREOF INCYTE CORPORATION 2020-10-08 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-20200316064-A1 CYCLIN-DEPENDENT KINASE 2 BIOMARKERS AND USES THEREOF CDK2, CDK2AP2, CDKL2 CDK2 1/4885CCNA2 8/4885CCNA1 30/4885

“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.