SCHEMBL2281024

SCHEMBL2281024

Cc1nc(N2C(=O)OCC2C)sc1-c1ccnc(Nc2ccc(NS(C)(=O)=O)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.48
AURKA O14965 6/20 0.48
CDK9 P50750 6/20 0.48
AURKB Q96GD4 5/20 0.48
JAK2 O60674 6/20 0.47
JAK3 P52333 5/20 0.47
CDK4 P11802 7/20 0.45
CDK1 P06493 5/20 0.45
CDK7 P50613 3/20 0.45
IDH1 O75874 1/20 0.44
MAPK8 P45983 2/20 0.44
MAPK10 P53779 2/20 0.44
PLK1 P53350 1/20 0.44
CCNT1 O60563 2/20 0.44
CCNE1 P24864 2/20 0.44
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
CIT O14578 1/20 0.44
CHEK1 O14757 1/20 0.44
GAK O14976 1/20 0.44

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
SCHEMBL2286050 0.92 CDK2 (0.46) CDK2AURKACDK9AURKBJAK2
SCHEMBL2288151 0.88 CDK2 (0.59) CDK2AURKACDK9AURKBJAK2
SCHEMBL2287024 0.88 CDK2 (0.59) CDK2AURKACDK9AURKBJAK2
SCHEMBL2288845 0.88 CDK2 (0.57) CDK2AURKACDK9AURKBJAK2
SCHEMBL2285621 0.86 CDK2 (0.48) CDK2AURKACDK9AURKBJAK2
SCHEMBL2282178 0.83 CDK2 (0.46) CDK2AURKACDK9AURKBJAK2
SCHEMBL2285792 0.83 CDK2 (0.43) CDK2AURKACDK9AURKBJAK2
SCHEMBL2286403 0.82 JAK2 (0.52) CDK2AURKACDK9AURKBJAK2
SCHEMBL2282503 0.82 CDK2 (0.61) CDK2AURKACDK9AURKBCDK4
SCHEMBL2278872 0.82 CDK2 (0.61) CDK2AURKACDK9AURKBJAK2

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 2065/4885AURKA 2085/4885CDK9 3151/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885AURKA 2015/4885CDK9 3311/4885

“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.