SCHEMBL2283552

SCHEMBL2283552

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.73
CDK4 P11802 13/20 0.73
PLK1 P53350 3/20 0.73
CCNE1 P24864 4/20 0.70
AURKA O14965 6/20 0.62
CDK9 P50750 6/20 0.62
CDK1 P06493 5/20 0.62
AURKB Q96GD4 5/20 0.62
CCNT1 O60563 2/20 0.62
ABL1 P00519 2/20 0.62
GSK3B P49841 2/20 0.62
CDK5 Q00535 2/20 0.62
CDC7 O00311 1/20 0.62
PLK4 O00444 1/20 0.62
CIT O14578 1/20 0.62
CHEK1 O14757 1/20 0.62
GAK O14976 1/20 0.62
EPHB6 O15197 1/20 0.62
PDPK1 O15530 1/20 0.62
DAPK3 O43293 1/20 0.62

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 0.88 CDK2 (0.76) CDK2CDK4PLK1CCNE1AURKA
SCHEMBL2283592 0.85 CDK2 (0.73) CDK2CDK4PLK1CCNE1AURKA
SCHEMBL4797791 0.84 CDK2 (0.78) CDK2CDK4PLK1CCNE1AURKA
SCHEMBL5052445 0.84 CDK2 (1.00) CDK2CDK4PLK1CCNE1AURKA
SCHEMBL2073680 0.84 CDK2 (0.78) CDK2CDK4PLK1CCNE1AURKA
SCHEMBL4799684 0.84 CDK2 (0.78) CDK2CDK4PLK1CCNE1AURKA
SCHEMBL2076190 0.84 CDK2 (0.78) CDK2CDK4PLK1CCNE1AURKA
SCHEMBL2287386 0.84 CDK2 (0.58) CDK2CDK4PLK1CCNE1AURKA
SCHEMBL2289774 0.84 CDK2 (0.58) CDK2CDK4PLK1CCNE1AURKA
SCHEMBL2283342 0.84 CDK2 (0.77) CDK2CDK4PLK1CCNE1AURKA

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 776/4885PLK1 4801/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885PLK1 4819/4885

“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.