SCHEMBL2286487

SCHEMBL2286487

COCCN(C(=O)O)c1ccc(Nc2nccc(-c3cnc(C)s3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.44
CDK4 P11802 6/20 0.43
CDK1 P06493 2/20 0.43
CDK7 P50613 2/20 0.43
CDK9 P50750 2/20 0.43
CCNE1 P24864 2/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
IKBKB O14920 5/20 0.42
CHUK O15111 3/20 0.42
IKBKG Q9Y6K9 3/20 0.42
CCNT1 O60563 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CCNH P51946 1/20 0.42
CCNA1 P78396 1/20 0.42
DKK1 O94907 1/20 0.41
GSK3B P49841 1/20 0.41
SYK P43405 2/20 0.41
JAK2 O60674 3/20 0.40

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
SCHEMBL2286095 0.90 CDK2 (0.43) CDK2CDK4CDK1CDK7CDK9
SCHEMBL2286136 0.89 IKBKB (0.42) CDK2CDK4CDK1CDK7CDK9
SCHEMBL2353118 0.87 JAK2 (0.46) CDK2CDK1CDK7CDK9IKBKB
SCHEMBL2286339 0.87 CDK2 (0.46) CDK2CDK4CDK1CDK7CDK9
SCHEMBL2283255 0.86 CDK2 (0.44) CDK2CDK4CDK1CDK7CDK9
SCHEMBL2285673 0.85 CDK2 (0.63) CDK2CDK4CDK1CDK7CDK9
SCHEMBL2278999 0.84 CDK2 (0.43) CDK2CDK1CDK7CDK9IKBKB
SCHEMBL2286997 0.82 CDK2 (0.47) CDK2CDK4CDK1CDK7CDK9
SCHEMBL2286521 0.81 CDK2 (0.62) CDK2CDK4CDK1CDK7CDK9
SCHEMBL2281006 0.81 CDK2 (0.48) CDK2CDK4CDK1CDK7CDK9

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.