SCHEMBL2289774

SCHEMBL2289774

Cc1nc(C(C)C)sc1-c1ccnc(Nc2ccc(C#N)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.58
CDK4 P11802 11/20 0.58
AURKA O14965 6/20 0.55
CDK9 P50750 5/20 0.55
AURKB Q96GD4 5/20 0.55
CDK7 P50613 4/20 0.55
CDK1 P06493 4/20 0.55
PLK1 P53350 3/20 0.54
CCNE1 P24864 5/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CCNA2 P20248 1/20 0.51
IKBKB O14920 2/20 0.47
CHEK1 O14757 2/20 0.46
DAPK3 O43293 2/20 0.46
JAK2 O60674 2/20 0.46
PRKD3 O94806 2/20 0.46
PAK4 O96013 2/20 0.46
ABL1 P00519 2/20 0.46
FYN P06241 2/20 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
SCHEMBL2281563 0.86 CDK2 (0.76) CDK2CDK4AURKACDK9AURKB
SCHEMBL14562209 0.85 CDK2 (0.74) CDK2CDK4AURKACDK9AURKB
SCHEMBL2283552 0.84 CDK2 (0.73) CDK2CDK4AURKACDK9AURKB
SCHEMBL2283592 0.83 CDK2 (0.73) CDK2CDK4AURKACDK9AURKB
SCHEMBL2287386 0.82 CDK2 (0.58) CDK2CDK4AURKACDK9AURKB
SCHEMBL2289719 0.82 CDK2 (0.76) CDK2CDK4AURKACDK9AURKB
SCHEMBL2278842 0.79 CDK2 (0.56) CDK2CDK4AURKACDK9AURKB
SCHEMBL2287240 0.78 CDK2 (0.58) CDK2CDK4AURKACDK9AURKB
SCHEMBL2285515 0.76 CDK2 (0.55) CDK2CDK4AURKACDK9AURKB
SCHEMBL14378915 0.74 CDK2 (0.66) CDK2CDK4AURKACDK9AURKB

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 776/4885AURKA 2085/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885AURKA 2015/4885

“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.