SCHEMBL2283459

SCHEMBL2283459

CC(=O)c1cccc(Nc2nccc(-c3sc(NC(C)CO)nc3C)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.55
CDK4 P11802 11/20 0.55
CDK9 P50750 6/20 0.55
CCNA2 P20248 6/20 0.55
CCNT1 O60563 5/20 0.55
CDK1 P06493 4/20 0.55
CDK7 P50613 4/20 0.55
CCNB1 P14635 3/20 0.55
CCNH P51946 3/20 0.55
CCNA1 P78396 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MITF O75030 1/20 0.50
RAB9A P51151 1/20 0.50
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
GAA P10253 1/20 0.48
PLK1 P53350 1/20 0.47

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
SCHEMBL2290511 0.91 CDK2 (0.55) CDK2CDK4CDK9CCNA2CCNT1
SCHEMBL2286526 0.91 CDK2 (0.53) CDK2CDK4CDK9CCNA2CCNT1
SCHEMBL2278651 0.87 CDK2 (0.73) CDK2CDK4CDK9CCNA2CCNT1
SCHEMBL2281302 0.86 CDK2 (0.67) CDK2CDK4CDK9CCNA2CCNT1
SCHEMBL2284073 0.86 CDK2 (0.63) CDK2CDK4CDK9CCNA2CCNT1
SCHEMBL2283611 0.85 CDK2 (0.55) CDK2CDK4CDK9CCNA2CCNT1
SCHEMBL2283519 0.85 CDK2 (0.56) CDK2CDK4CDK9CCNA2CCNT1
SCHEMBL2282945 0.84 CDK2 (0.74) CDK2CDK4CDK9CCNA2CCNT1
SCHEMBL2286437 0.83 CDK2 (0.58) CDK2CDK4CDK9CCNA2CCNT1
SCHEMBL2286448 0.82 CDK2 (0.59) CDK2CDK4CDK9CCNA2CCNT1

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 776/4885CDK9 3151/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885CDK9 3311/4885

“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.