SCHEMBL2282945

SCHEMBL2282945

Cc1nc(NC(C)CO)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.74
CDK4 P11802 8/20 0.74
CCNT1 O60563 7/20 0.74
CDK9 P50750 7/20 0.74
CDK1 P06493 5/20 0.74
CCNB1 P14635 5/20 0.74
CCNA2 P20248 4/20 0.74
CDK7 P50613 4/20 0.74
CCNH P51946 4/20 0.74
CCNA1 P78396 3/20 0.74
ABL1 P00519 4/20 0.67
AURKA O14965 1/20 0.67
CCNB2 O95067 1/20 0.67
CCNE2 O96020 1/20 0.67
CCND1 P24385 1/20 0.67
CCNE1 P24864 1/20 0.67
ABL2 P42684 1/20 0.67
GSK3B P49841 1/20 0.67
MNAT1 P51948 1/20 0.67
CDK5 Q00535 1/20 0.67

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
SCHEMBL4802052 0.86 CDK2 (0.77) CDK2CDK4CCNT1CDK9CDK1
SCHEMBL2278651 0.86 CDK2 (0.73) CDK2CDK4CCNT1CDK9CDK1
SCHEMBL2282051 0.85 CDK2 (1.00) CDK2CDK4CCNT1CDK9CDK1
SCHEMBL27643460 0.85 CDK2 (0.70) CDK2CDK4CCNT1CDK9CDK1
SCHEMBL2075991 0.85 CDK2 (0.70) CDK2CDK4CCNT1CDK9CDK1
SCHEMBL4795797 0.85 CDK2 (0.81) CDK2CDK4CCNT1CDK9CDK1
SCHEMBL2281302 0.85 CDK2 (0.67) CDK2CDK4CCNT1CDK9CDK1
SCHEMBL2284073 0.84 CDK2 (0.63) CDK2CDK4CCNT1CDK9CDK1
SCHEMBL2283459 0.84 CDK2 (0.55) CDK2CDK4CCNT1CDK9CDK1
SCHEMBL2290511 0.84 CDK2 (0.55) CDK2CDK4CCNT1CDK9CDK1

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.