SCHEMBL2286319

SCHEMBL2286319

CC(=O)c1cccc(Nc2ncc3c(n2)-c2sc(N)nc2CC3)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.70
CCNT1 O60563 12/20 0.70
CDK9 P50750 12/20 0.70
CCNA2 P20248 8/20 0.70
CDK4 P11802 12/20 0.69
CDK1 P06493 11/20 0.69
CCNB1 P14635 11/20 0.69
CCNE1 P24864 11/20 0.69
CDK7 P50613 10/20 0.69
CCNH P51946 10/20 0.69
CCND1 P24385 10/20 0.69
CCNA1 P78396 6/20 0.63
PLK1 P53350 5/20 0.63
AURKA O14965 4/20 0.63
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
CCND3 P30281 2/20 0.48
CDK6 Q00534 2/20 0.48
TTK P33981 1/20 0.47

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
SCHEMBL2282755 0.90 CDK2 (0.70) CDK2CCNT1CDK9CCNA2CDK4
SCHEMBL2289371 0.85 CDK2 (0.77) CDK2CCNT1CDK9CCNA2CDK4
SCHEMBL2288450 0.83 CDK2 (0.55) CDK2CCNT1CDK9CCNA2CDK4
SCHEMBL2286061 0.83 CDK2 (0.69) CDK2CCNT1CDK9CCNA2CDK4
SCHEMBL2353388 0.82 CDK2 (0.72) CDK2CCNT1CDK9CCNA2CDK4
SCHEMBL13763149 0.82 CDK2 (0.72) CDK2CCNT1CDK9CCNA2CDK4
SCHEMBL2355801 0.82 CDK2 (1.00) CDK2CCNT1CDK9CCNA2CDK4
SCHEMBL2281533 0.82 CDK2 (0.54) CDK2CCNT1CDK9CCNA2CDK4
SCHEMBL2852266 0.82 CDK2 (1.00) CDK2CCNT1CDK9CCNA2CDK4
SCHEMBL2286073 0.81 CDK2 (0.53) CDK2CCNT1CDK9CCNA2CDK4

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 2065/4885CCNT1 513/4885CDK9 3151/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CCNT1 528/4885CDK9 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.