SCHEMBL2285253

SCHEMBL2285253

Cc1nc(N2CCOC2=O)sc1-c1ccnc(Nc2cccc(Cl)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.63
CDK4 P11802 10/20 0.63
CDK1 P06493 4/20 0.49
CCNT1 O60563 4/20 0.49
CDK9 P50750 4/20 0.49
CCNA2 P20248 3/20 0.49
CCNB1 P14635 2/20 0.49
CDK7 P50613 2/20 0.49
CCNH P51946 2/20 0.49
CAMK2D Q13557 4/20 0.49
SMG1 Q96Q15 1/20 0.49
ABL1 P00519 3/20 0.48
AURKA O14965 3/20 0.48
AURKB Q96GD4 3/20 0.48
CCNE1 P24864 2/20 0.48
GSK3B P49841 2/20 0.48
CDK5 Q00535 2/20 0.48
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
CCND1 P24385 1/20 0.48

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
SCHEMBL2279493 0.89 CDK2 (0.63) CDK2CDK4CDK1CCNT1CDK9
SCHEMBL2286217 0.89 CDK2 (0.59) CDK2CDK4CDK1CCNT1CDK9
SCHEMBL2285022 0.88 CDK2 (0.58) CDK2CDK4CDK1CCNT1CDK9
SCHEMBL2286398 0.87 JAK2 (0.49) CDK2CDK4CDK1CCNT1CDK9
SCHEMBL2289260 0.87 CDK2 (0.57) CDK2CDK4CDK1CCNT1CDK9
SCHEMBL2286279 0.87 CDK2 (0.51) CDK2CDK4CDK1CCNT1CDK9
SCHEMBL2281923 0.86 CDK2 (0.68) CDK2CDK4CDK1CCNT1CDK9
SCHEMBL2282825 0.86 CDK2 (0.49) CDK2CDK4CDK1CCNT1CDK9
SCHEMBL2288421 0.83 CDK2 (0.61) CDK2CDK4CDK1CCNT1CDK9
SCHEMBL2281073 0.83 CDK2 (0.61) CDK2CDK4CDK1CCNT1CDK9

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.