SCHEMBL2289260

SCHEMBL2289260

CC(=O)c1cccc(Nc2nccc(-c3sc(N4CCOC4=O)nc3C)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.57
CDK9 P50750 9/20 0.57
CCNT1 O60563 7/20 0.57
CCNA2 P20248 6/20 0.57
CDK7 P50613 6/20 0.57
CDK1 P06493 6/20 0.57
CCNB1 P14635 4/20 0.57
CCNH P51946 4/20 0.57
CDK4 P11802 12/20 0.48
AURKA O14965 5/20 0.46
AURKB Q96GD4 5/20 0.46
ABL1 P00519 2/20 0.46
CCNE1 P24864 2/20 0.46
GSK3B P49841 2/20 0.46
CDK5 Q00535 2/20 0.46
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
CCND1 P24385 1/20 0.46
ABL2 P42684 1/20 0.46
MNAT1 P51948 1/20 0.46

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
SCHEMBL2286279 0.92 CDK2 (0.51) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL2279493 0.89 CDK2 (0.63) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL2285253 0.87 CDK2 (0.63) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL2286217 0.86 CDK2 (0.59) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL2285022 0.85 CDK2 (0.58) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL2286398 0.85 JAK2 (0.49) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL2283307 0.84 JAK2 (0.52) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL2281923 0.84 CDK2 (0.68) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL2290084 0.83 CDK2 (0.52) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL2288421 0.83 CDK2 (0.61) CDK2CDK9CCNT1CCNA2CDK7

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 3151/4885CCNT1 513/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK9 3311/4885CCNT1 528/4885

“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.