SCHEMBL2087407

SCHEMBL2087407

Cc1c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3N3CCN(C)CC3)n2)sc(=O)n1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.71
CDK7 P50613 5/20 0.71
CDK9 P50750 5/20 0.71
CCNT1 O60563 4/20 0.71
MKNK2 Q9HBH9 2/20 0.53
CCNE1 P24864 2/20 0.51
FLT3 P36888 3/20 0.48
IGF1R P08069 3/20 0.48
DYRK1B Q9Y463 3/20 0.48
WEE1 P30291 2/20 0.48
ALK Q9UM73 2/20 0.48
MAP2K1 Q02750 2/20 0.48
CHEK1 O14757 1/20 0.48
AURKA O14965 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
PRKD3 O94806 1/20 0.48
PAK4 O96013 1/20 0.48
ABL1 P00519 1/20 0.48
FYN P06241 1/20 0.48

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
SCHEMBL2085358 0.84 CDK2 (1.00) CDK2CDK7CDK9CCNT1MKNK2
SCHEMBL2076008 0.81 CDK2 (0.81) CDK2CDK7CDK9CCNT1MKNK2
SCHEMBL2087938 0.80 CDK2 (0.75) CDK2CDK7CDK9CCNT1MKNK2
SCHEMBL18454477 0.79 CDK4 (0.66) CDK2CDK7CDK9CCNT1CCNE1
SCHEMBL29815786 0.79 CDK4 (0.66) CDK2CDK7CDK9CCNT1CCNE1
SCHEMBL2087408 0.76 CDK2 (0.63) CDK2CDK7CDK9CCNT1MKNK2
SCHEMBL2076613 0.73 CDK2 (0.80) CDK2CDK7CDK9CCNT1MKNK2
SCHEMBL2087906 0.72 CDK2 (0.75) CDK2CDK7CDK9CCNT1CCNE1
SCHEMBL2088831 0.71 CDK2 (0.72) CDK2CDK7CDK9CCNT1CCNE1
SCHEMBL2087314 0.71 CDK2 (0.71) CDK2CDK7CDK9CCNT1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902361-B2 Pyrimidin-4-yl-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2011-03-08 US disclosed
US-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2007-01-25 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-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy MSRB3, DHFR, CBR3 CDK2 459/4885CDK7 1077/4885CDK9 1001/4885

“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.