SCHEMBL2286217

SCHEMBL2286217

Cc1nc(N2CCOC2=O)sc1-c1ccnc(Nc2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.59
CDK4 P11802 14/20 0.59
CDK9 P50750 10/20 0.53
AURKA O14965 8/20 0.53
AURKB Q96GD4 7/20 0.53
CDK1 P06493 7/20 0.53
CCNT1 O60563 4/20 0.53
CDK6 Q00534 3/20 0.53
CCNE1 P24864 2/20 0.53
GSK3B P49841 2/20 0.53
CDC7 O00311 1/20 0.53
PLK4 O00444 1/20 0.53
CIT O14578 1/20 0.53
CHEK1 O14757 1/20 0.53
GAK O14976 1/20 0.53
EPHB6 O15197 1/20 0.53
PDPK1 O15530 1/20 0.53
DAPK3 O43293 1/20 0.53
RIPK2 O43353 1/20 0.53
BUB1 O43683 1/20 0.53

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
SCHEMBL2281073 0.90 CDK2 (0.61) CDK2CDK4CDK9AURKAAURKB
SCHEMBL2288421 0.90 CDK2 (0.61) CDK2CDK4CDK9AURKAAURKB
SCHEMBL2285253 0.89 CDK2 (0.63) CDK2CDK4CDK9AURKAAURKB
SCHEMBL2279493 0.89 CDK2 (0.63) CDK2CDK4CDK9AURKAAURKB
SCHEMBL2286403 0.88 JAK2 (0.52) CDK2CDK4CDK9AURKAAURKB
SCHEMBL2283307 0.88 JAK2 (0.52) CDK2CDK4CDK9AURKAAURKB
SCHEMBL2285022 0.87 CDK2 (0.58) CDK2CDK4CDK9AURKAAURKB
SCHEMBL2286398 0.86 JAK2 (0.49) CDK2CDK4CDK9AURKAAURKB
SCHEMBL2286279 0.86 CDK2 (0.51) CDK2CDK4CDK9AURKAAURKB
SCHEMBL2289260 0.86 CDK2 (0.57) CDK2CDK4CDK9AURKAAURKB

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 776/4885CDK9 3151/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885CDK9 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.