SCHEMBL2280972

SCHEMBL2280972

CCC(C)c1nc(N)sc1-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.58
CDK4 P11802 4/20 0.58
AURKA O14965 3/20 0.58
CDK1 P06493 3/20 0.58
CDK7 P50613 3/20 0.58
CDK9 P50750 3/20 0.58
AURKB Q96GD4 3/20 0.58
EGFR P00533 3/20 0.51
JAK2 O60674 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
PTK2B Q14289 1/20 0.51
ZAP70 P43403 7/20 0.50
PRKD3 O94806 3/20 0.50
PRKCG P05129 3/20 0.50
PRKCB P05771 3/20 0.50
LCK P06239 3/20 0.50
PRKCA P17252 3/20 0.50
PRKCH P24723 3/20 0.50

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
SCHEMBL2282505 0.89 CDK2 (0.71) CDK2CDK4AURKACDK1CDK7
SCHEMBL2282087 0.89 CDK2 (0.58) CDK2CDK4AURKACDK1CDK7
SCHEMBL2282886 0.84 GSK3B (0.58) CDK2CDK4AURKACDK1CDK7
SCHEMBL2287373 0.84 CDK2 (0.58) CDK2CDK4AURKACDK1CDK7
SCHEMBL2282706 0.84 CDK2 (0.58) CDK2CDK4AURKACDK1CDK7
SCHEMBL2288855 0.83 CDK2 (0.53) CDK2CDK4AURKACDK1CDK7
SCHEMBL4159675 0.83 CDK2 (0.80) CDK2CDK4AURKACDK1CDK7
SCHEMBL2279015 0.81 CDK2 (0.54) CDK2CDK4AURKACDK1CDK7
SCHEMBL2281114 0.80 CDK2 (0.58) CDK2CDK4AURKACDK1CDK7
SCHEMBL2281574 0.78 CDK2 (0.60) CDK2CDK4AURKACDK1CDK7

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 776/4885AURKA 2085/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885AURKA 2015/4885

“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.