SCHEMBL2286252

SCHEMBL2286252

CCC(C)c1nc(NCC2CCCO2)sc1-c1ccnc(Nc2ccc(N(CCOC)C(=O)O)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.37
CDK4 P11802 3/20 0.37
SYK P43405 2/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CDK9 P50750 5/20 0.36
AURKA O14965 3/20 0.36
AURKB Q96GD4 3/20 0.36
CDK7 P50613 3/20 0.36
CDK1 P06493 2/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
IKBKG Q9Y6K9 1/20 0.36
TNK2 Q07912 3/20 0.36
CHEK1 O14757 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36

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
SCHEMBL2283606 0.88 CDK9 (0.45) CDK2CDK4SYKMAPK1HTT
SCHEMBL2283774 0.86 IKBKB (0.41) CDK2CDK4SYKMAPK1HTT
SCHEMBL2285956 0.85 CDK2 (0.41) CDK2CDK4SYKMAPK1HTT
SCHEMBL2284122 0.84 KCNH3 (0.50) CDK2CDK4MAPK1HTTHPGD
SCHEMBL2355130 0.83 CDK2 (0.41) CDK2CDK4CDK9AURKAAURKB
SCHEMBL2284049 0.82 CDK2 (0.38) CDK2CDK4SYKCDK9AURKA
SCHEMBL2286997 0.81 CDK2 (0.47) CDK2CDK4SYKCDK9AURKA
SCHEMBL2286079 0.81 CDK2 (0.38) CDK2CDK4SYKCDK9AURKA
SCHEMBL2283853 0.81 CDK2 (0.47) CDK2CDK4SYKCDK9AURKA
SCHEMBL2284103 0.81 CDK2 (0.41) CDK2CDK4CDK9AURKAAURKB

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 776/4885SYK 506/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885SYK 524/4885

“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.