SCHEMBL2285357

SCHEMBL2285357

CCC(C)c1nc(NC(=O)C(F)(F)F)sc1-c1ccnc(Nc2ccc(CN(C(=O)O)C(C)(C)C)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.42
CDK9 P50750 9/20 0.42
CDK7 P50613 7/20 0.42
CDK1 P06493 6/20 0.42
CCNA2 P20248 6/20 0.42
CCNT1 O60563 6/20 0.42
CCNB1 P14635 4/20 0.42
CCNH P51946 4/20 0.42
CCNA1 P78396 4/20 0.42
CDK4 P11802 3/20 0.42
AURKA O14965 3/20 0.42
AURKB Q96GD4 3/20 0.42
PLK1 P53350 1/20 0.39
JAK2 O60674 3/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
WEE1 P30291 2/20 0.36
ALK Q9UM73 2/20 0.36
GSK3B P49841 2/20 0.36
JAK3 P52333 2/20 0.36

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
SCHEMBL2354646 0.91 CDK2 (0.47) CDK2CDK9CDK7CDK1CCNA2
SCHEMBL2282532 0.86 CDK2 (0.47) CDK2CDK9CDK7CDK1CCNA2
SCHEMBL2287955 0.85 CDK2 (0.42) CDK2CDK9CDK7CDK1CCNA2
SCHEMBL2285611 0.85 CDK2 (0.47) CDK2CDK9CDK7CDK1CCNA2
SCHEMBL2283247 0.84 CDK2 (0.41) CDK2CDK9CDK7CDK1CCNA2
SCHEMBL2288694 0.84 CDK2 (0.50) CDK2CDK9CDK7CDK1CCNA2
SCHEMBL2284103 0.84 CDK2 (0.41) CDK2CDK9CDK7CDK1CCNA2
SCHEMBL2289512 0.83 CDK2 (0.46) CDK2CDK9CDK7CDK1CCNA2
SCHEMBL2285468 0.81 CDK2 (0.58) CDK2CDK9CDK7CDK1CCNA2
SCHEMBL2286391 0.81 CDK2 (0.49) CDK2CDK9CDK7CDK1CCNA2

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 2065/4885CDK9 3151/4885CDK7 1953/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK9 3311/4885CDK7 1978/4885

“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.