SCHEMBL2283561

SCHEMBL2283561

Cc1nc(NCC2CCCO2)sc1-c1ccnc(Nc2cccc(NS(C)(=O)=O)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.50
CDK9 P50750 10/20 0.50
CCNT1 O60563 8/20 0.50
CCNA2 P20248 8/20 0.50
CDK1 P06493 7/20 0.50
CDK7 P50613 7/20 0.50
CCNB1 P14635 6/20 0.50
CCNH P51946 6/20 0.50
CCNA1 P78396 4/20 0.50
CDK4 P11802 8/20 0.48
AURKA O14965 2/20 0.45
AURKB Q96GD4 2/20 0.45
JAK2 O60674 3/20 0.45
JAK3 P52333 3/20 0.45

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
SCHEMBL2289127 0.92 CDK2 (0.51) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL2285488 0.88 CDK2 (0.50) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL2286333 0.87 CDK2 (0.64) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL27741376 0.87 CDK2 (0.59) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL27741378 0.87 CDK4 (0.55) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL27720286 0.86 PAK4 (0.55) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL2284017 0.82 CDK2 (0.62) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL27720314 0.82 CDK2 (0.57) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL27741373 0.81 CDK2 (0.51) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL27720261 0.80 CDK2 (0.47) CDK2CDK9CCNT1CCNA2CDK1

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 3151/4885CCNT1 513/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK9 3311/4885CCNT1 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.