SCHEMBL2354841

SCHEMBL2354841

COc1cc(Nc2ncc3c(n2)-c2sc(NC(C)(C)C)nc2CC3)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 12/20 0.51
CDK1 P06493 12/20 0.51
CCNB1 P14635 12/20 0.51
CCNE1 P24864 12/20 0.51
CDK2 P24941 12/20 0.51
CDK9 P50750 12/20 0.51
CDK4 P11802 11/20 0.51
CCND1 P24385 11/20 0.51
CDK7 P50613 11/20 0.51
CCNH P51946 11/20 0.51
KDR P35968 4/20 0.48
FYN P06241 1/20 0.46
PDGFRB P09619 1/20 0.46
PTK2 Q05397 2/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43

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
SCHEMBL2358168 0.85 CCNT1 (0.65) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2285942 0.84 CCNT1 (0.47) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2354356 0.84 CDK1 (0.47) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2355476 0.83 CDK2 (0.56) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2356752 0.82 CDK2 (0.75) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2357760 0.81 CDK2 (0.72) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2357512 0.80 CDK2 (0.61) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2357931 0.79 CDK1 (0.43) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2357932 0.78 CDK2 (0.58) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2354946 0.78 CDK2 (0.56) CCNT1CDK1CCNB1CCNE1CDK2

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 CCNT1 513/4885CDK1 793/4885CCNB1 766/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CCNT1 528/4885CDK1 857/4885CCNB1 772/4885

“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.