SCHEMBL2283525

SCHEMBL2283525

CCC(C)c1nc(NC(C)COC)sc1-c1ccnc(Nc2cccc(C(C)=O)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.48
CCNT1 O60563 9/20 0.48
CDK9 P50750 9/20 0.48
CCNA2 P20248 8/20 0.48
CDK1 P06493 6/20 0.43
CCNB1 P14635 5/20 0.43
CDK7 P50613 5/20 0.43
CCNH P51946 5/20 0.43
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
SRC P12931 1/20 0.43
CDK4 P11802 3/20 0.42
CAMK2D Q13557 3/20 0.41
IKBKB O14920 2/20 0.41
SYK P43405 2/20 0.41
JAK2 O60674 2/20 0.41
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
CHUK O15111 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
SCHEMBL2286526 0.89 CDK2 (0.53) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL2281298 0.89 CDK2 (0.55) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL2285132 0.87 CDK2 (0.51) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL2284933 0.87 GSK3B (0.53) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL2286804 0.87 CDK2 (0.51) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL2289208 0.86 CDK2 (0.46) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL2287031 0.85 CDK2 (0.56) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL2286414 0.84 CDK2 (0.52) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL2282342 0.83 CCNT1 (0.49) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL2281204 0.83 CDK2 (0.47) CDK2CCNT1CDK9CCNA2CDK1

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.