SCHEMBL2286433

SCHEMBL2286433

COc1nc(C)sc1-c1ccnc(Nc2cccc(Cl)c2)n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.76
CDK4 P11802 8/20 0.76
AURKA O14965 2/20 0.53
CDK1 P06493 2/20 0.53
AURKB Q96GD4 2/20 0.53
CDK7 P50613 1/20 0.53
CDK9 P50750 1/20 0.53
EIF2AK2 P19525 2/20 0.53
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
PRKCA P17252 1/20 0.53
PRKCD Q05655 1/20 0.53
PIK3CA P42336 2/20 0.53
PIK3CB P42338 2/20 0.53
PIK3CG P48736 2/20 0.53
CAMK2D Q13557 3/20 0.52
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49

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
SCHEMBL6159474 0.86 CDK2 (1.00) CDK2CDK4AURKACDK1AURKB
SCHEMBL2283009 0.86 CDK2 (0.83) CDK2CDK4AURKACDK1AURKB
SCHEMBL2283396 0.86 CDK2 (0.73) CDK2CDK4AURKACDK1AURKB
SCHEMBL2282765 0.83 CDK2 (0.56) CDK2CDK4AURKACDK1AURKB
SCHEMBL27741349 0.82 CDK2 (0.74) CDK2CDK4CDK1CDK7CDK9
SCHEMBL2284099 0.81 CDK2 (0.73) CDK2CDK4CDK1CDK7CDK9
SCHEMBL2284344 0.80 CDK2 (0.81) CDK2CDK4AURKACDK1AURKB
SCHEMBL2287329 0.79 CDK2 (0.70) CDK2CDK4EIF2AK2ABL1BCR
SCHEMBL4800928 0.78 CDK2 (0.79) CDK2CDK4AURKACDK1AURKB
SCHEMBL6156552 0.78 CDK2 (0.72) CDK2CDK4AURKACDK1AURKB

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.