SCHEMBL2289208

SCHEMBL2289208

CCC(C)c1nc(NC(C)COC)sc1-c1ccnc(Nc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.46
CDK4 P11802 9/20 0.46
GSK3B P49841 5/20 0.41
CDK9 P50750 11/20 0.41
CCNA2 P20248 6/20 0.41
CCNT1 O60563 6/20 0.41
PLK1 P53350 1/20 0.40
CDK1 P06493 9/20 0.40
CDK7 P50613 8/20 0.40
AURKA O14965 6/20 0.40
AURKB Q96GD4 6/20 0.40
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
MAPK13 O15264 1/20 0.39
DAPK3 O43293 1/20 0.39
DYRK3 O43781 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL2281298 0.89 CDK2 (0.55) CDK2CDK4GSK3BCDK9CCNA2
SCHEMBL2284933 0.89 GSK3B (0.53) CDK2CDK4GSK3BCDK9CCNA2
SCHEMBL2285132 0.89 CDK2 (0.51) CDK2CDK4GSK3BCDK9CCNA2
SCHEMBL2289479 0.87 CDK2 (0.46) CDK2CDK4GSK3BCDK9CCNA2
SCHEMBL2287373 0.87 CDK2 (0.58) CDK2CDK4CDK9PLK1CDK1
SCHEMBL2283525 0.86 CDK2 (0.48) CDK2CDK4GSK3BCDK9CCNA2
SCHEMBL2283547 0.86 CDK2 (0.60) CDK2CDK4GSK3BCDK9CCNA2
SCHEMBL2283247 0.85 CDK2 (0.41) CDK2CDK4GSK3BCDK9CCNA2
SCHEMBL2284049 0.85 CDK2 (0.38) CDK2CDK4GSK3BCDK9CCNA2
SCHEMBL2285772 0.82 CDK2 (0.52) CDK2CDK4GSK3BCDK9CCNA2

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-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 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 (2 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-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX CDK2 2065/4885CDK4 776/4885GSK3B 2541/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885GSK3B 2430/4885

“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.