SCHEMBL2286244

SCHEMBL2286244

COCC(C)Nc1ncc(-c2ccnc(Nc3cccc(O)c3)n2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.51
CDK4 P11802 3/20 0.51
CCNT1 O60563 4/20 0.50
CCNA2 P20248 4/20 0.50
CDK9 P50750 4/20 0.50
CDK1 P06493 3/20 0.50
CCNB1 P14635 3/20 0.50
CDK7 P50613 3/20 0.50
CCNH P51946 3/20 0.50
CCNA1 P78396 3/20 0.50
SYK P43405 3/20 0.45
KDR P35968 1/20 0.44
PLK1 P53350 1/20 0.44
PTK2 Q05397 1/20 0.44
AURKB Q96GD4 1/20 0.44
PIK3CG P48736 3/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
GSK3B P49841 1/20 0.41
ABL1 P00519 2/20 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
SCHEMBL2283625 0.89 PIK3CG (0.57) CDK2CDK4CCNT1CCNA2CDK9
SCHEMBL2288652 0.89 CDK2 (0.51) CDK2CDK4CCNT1CCNA2CDK9
SCHEMBL2282342 0.87 CCNT1 (0.49) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL2288709 0.86 CDK2 (0.52) CDK2CDK4CCNT1CCNA2CDK9
SCHEMBL2281298 0.82 CDK2 (0.55) CDK2CDK4CCNT1CCNA2CDK9
SCHEMBL2285192 0.82 CDK2 (0.53) CDK2CDK4CCNT1CCNA2CDK9
SCHEMBL2288658 0.82 CDK2 (0.53) CDK2CDK4CCNT1CCNA2CDK9
SCHEMBL2283438 0.79 CDK2 (0.56) CDK2CDK4CCNT1CCNA2CDK9
SCHEMBL2284400 0.78 CDK2 (0.68) CDK2CDK4CCNT1CCNA2CDK9
SCHEMBL2282078 0.78 CDK2 (0.58) CDK2CDK4CCNT1CCNA2CDK9

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 776/4885CCNT1 513/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885CCNT1 528/4885

“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.