SCHEMBL2286341

SCHEMBL2286341

CCC(C)c1nc(NCC2CCCO2)sc1-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.55
CDK1 P06493 4/20 0.55
AURKB Q96GD4 4/20 0.55
CDK2 P24941 4/20 0.55
CDK7 P50613 3/20 0.55
CDK9 P50750 3/20 0.55
CDK4 P11802 2/20 0.51
LCK P06239 4/20 0.43
EGFR P00533 3/20 0.43
JAK2 O60674 2/20 0.43
PTK2B Q14289 2/20 0.43
PLK4 O00444 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
NTRK1 P04629 1/20 0.43
INSR P06213 1/20 0.43
FYN P06241 1/20 0.43
CSF1R P07333 1/20 0.43
LYN P07948 1/20 0.43
IGF1R P08069 1/20 0.43

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
SCHEMBL2282854 0.87 PAK4 (0.51) AURKACDK1AURKBCDK2CDK9
SCHEMBL2285441 0.87 MKNK2 (0.46) AURKACDK1AURKBCDK2CDK7
SCHEMBL2284122 0.87 KCNH3 (0.50) AURKAAURKBCDK2CDK9CDK4
SCHEMBL2282479 0.86 CDK2 (0.56) AURKACDK1AURKBCDK2CDK7
SCHEMBL2284523 0.84 AURKA (0.50) AURKACDK1AURKBCDK2CDK7
SCHEMBL2284032 0.84 CDK2 (0.46) CDK1CDK2CDK7CDK9CDK4
SCHEMBL2283116 0.84 CDK2 (0.50) AURKACDK1AURKBCDK2CDK7
SCHEMBL2284194 0.82 CDK2 (0.46) AURKACDK1AURKBCDK2CDK7
SCHEMBL2286252 0.80 CDK2 (0.37) AURKACDK1AURKBCDK2CDK7
SCHEMBL2285956 0.79 CDK2 (0.41) AURKACDK1AURKBCDK2CDK7

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 AURKA 2085/4885CDK1 793/4885AURKB 3439/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 AURKA 2015/4885CDK1 857/4885AURKB 3377/4885

“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.