SCHEMBL2282178

SCHEMBL2282178

Cc1cc(Nc2nccc(-c3sc(N4C(=O)OCC4C)nc3C)n2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.46
CDK4 P11802 14/20 0.45
CDK1 P06493 5/20 0.44
CDK9 P50750 5/20 0.44
CDK7 P50613 3/20 0.44
CCNT1 O60563 2/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CCNH P51946 1/20 0.44
AURKA O14965 5/20 0.42
AURKB Q96GD4 4/20 0.42
CCNE1 P24864 2/20 0.41
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
CIT O14578 1/20 0.41
CHEK1 O14757 1/20 0.41
GAK O14976 1/20 0.41
EPHB6 O15197 1/20 0.41
PDPK1 O15530 1/20 0.41
DAPK3 O43293 1/20 0.41

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
SCHEMBL2287024 0.89 CDK2 (0.59) CDK2CDK4CDK1CDK9CDK7
SCHEMBL2282503 0.86 CDK2 (0.61) CDK2CDK4CDK1CDK9CDK7
SCHEMBL2288151 0.86 CDK2 (0.59) CDK2CDK4CDK1CDK9CDK7
SCHEMBL2288845 0.86 CDK2 (0.57) CDK2CDK4CDK1CDK9CDK7
SCHEMBL2278872 0.84 CDK2 (0.61) CDK2CDK4CDK1CDK9CDK7
SCHEMBL2285621 0.83 CDK2 (0.48) CDK2CDK4CDK1CDK9CDK7
SCHEMBL2281024 0.83 CDK2 (0.48) CDK2CDK4CDK1CDK9CDK7
SCHEMBL2282024 0.83 CDK2 (0.56) CDK2CDK4CDK1CDK9CDK7
SCHEMBL2282825 0.82 CDK2 (0.49) CDK2CDK4CDK1CDK9CDK7
SCHEMBL2283645 0.82 CDK2 (0.47) CDK2CDK4CDK1CDK9CDK7

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 776/4885CDK1 793/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885CDK1 857/4885

“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.