SCHEMBL2285772

SCHEMBL2285772

COCC(C)Nc1nc(C2CC2)c(-c2ccnc(Nc3ccccc3)n2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.52
CDK9 P50750 6/20 0.52
CCNA2 P20248 5/20 0.52
CCNT1 O60563 5/20 0.52
CDK1 P06493 5/20 0.52
CDK7 P50613 5/20 0.52
CCNB1 P14635 4/20 0.52
CCNH P51946 4/20 0.52
CCNA1 P78396 3/20 0.52
CDK4 P11802 7/20 0.45
KCNH2 Q12809 1/20 0.44
GSK3B P49841 4/20 0.43
PIK3C3 Q8NEB9 1/20 0.39
CCND1 P24385 3/20 0.38
PLK1 P53350 1/20 0.38
CCND3 P30281 2/20 0.38
CDK6 Q00534 2/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
MAPK9 P45984 1/20 0.37

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
SCHEMBL2282373 0.90 CDK2 (0.53) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL2288658 0.90 CDK2 (0.53) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL2281274 0.90 CDK2 (0.53) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL2281255 0.87 CDK2 (0.54) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL2287031 0.87 CDK2 (0.56) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL2283547 0.85 CDK2 (0.60) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL2289294 0.85 CDK2 (0.54) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL2288605 0.85 CDK2 (0.47) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL2289208 0.82 CDK2 (0.46) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL2279007 0.82 MKNK2 (0.49) CDK2CDK9CCNA2CCNT1CDK1

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 2065/4885CDK9 3151/4885CCNA2 2012/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK9 3311/4885CCNA2 1963/4885

“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.