SCHEMBL4160950

SCHEMBL4160950

CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(Nc5ccccc5)nc4C)n3)cc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 12/20 0.83
CDK2 P24941 12/20 0.83
CDK4 P11802 9/20 0.83
CDK7 P50613 8/20 0.83
AURKA O14965 7/20 0.83
AURKB Q96GD4 7/20 0.83
CDK1 P06493 6/20 0.83
WEE1 P30291 3/20 0.83
ALK Q9UM73 3/20 0.83
FLT3 P36888 6/20 0.79
IGF1R P08069 3/20 0.79
GSK3B P49841 2/20 0.79
CHEK1 O14757 2/20 0.79
DAPK3 O43293 2/20 0.79
JAK2 O60674 2/20 0.79
PRKD3 O94806 2/20 0.79
PAK4 O96013 2/20 0.79
ABL1 P00519 2/20 0.79
FYN P06241 2/20 0.79
CSF1R P07333 2/20 0.79

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
SCHEMBL2075827 0.91 CDK2 (1.00) CDK9CDK2CDK4CDK7AURKA
SCHEMBL4159159 0.89 CDK9 (0.78) CDK9CDK2CDK4CDK7AURKA
SCHEMBL13852372 0.89 CDK2 (0.77) CDK9CDK2CDK4CDK7AURKA
SCHEMBL4158649 0.89 CDK9 (1.00) CDK9CDK2CDK4CDK7AURKA
SCHEMBL2073428 0.88 CDK2 (1.00) CDK9CDK2CDK4CDK7AURKA
SCHEMBL27684394 0.87 CDK4 (0.64) CDK9CDK2CDK4CDK7AURKA
SCHEMBL4154271 0.86 CDK2 (1.00) CDK9CDK2CDK4CDK7AURKA
SCHEMBL4152059 0.86 CDK2 (0.82) CDK9CDK2CDK4CDK7AURKA
SCHEMBL5161475 0.84 GSK3B (0.72) CDK9CDK2CDK4CDK7AURKA
SCHEMBL4158723 0.84 CDK9 (1.00) CDK9CDK2CDK4CDK7AURKA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US claimed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 CDK9 34/4885CDK2 1/4885CDK4 2/4885

“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.