SCHEMBL2353643

SCHEMBL2353643

COc1ccc(Nc2ncc3c(n2)-c2sc(NCC4CCCO4)nc2CC3)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 12/20 0.62
CDK1 P06493 12/20 0.62
CCNB1 P14635 12/20 0.62
CCNE1 P24864 12/20 0.62
CDK2 P24941 12/20 0.62
CDK9 P50750 12/20 0.62
CDK7 P50613 11/20 0.62
CCNH P51946 11/20 0.62
CDK4 P11802 10/20 0.62
CCND1 P24385 10/20 0.62
TNK2 Q07912 6/20 0.41
CHEK1 O14757 1/20 0.41
JAK2 O60674 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
ROS1 P08922 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
TYK2 P29597 1/20 0.41
ALK Q9UM73 1/20 0.41

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
SCHEMBL2356680 0.88 KCNH3 (0.54) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2354958 0.88 PAK4 (0.53) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2281856 0.86 CCNT1 (0.58) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2356729 0.86 CDK2 (0.56) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2357931 0.86 CDK1 (0.43) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2357752 0.84 TNK2 (0.47) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2278859 0.84 CDK2 (0.47) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2286461 0.84 CCNT1 (0.45) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2357973 0.82 CCNT1 (0.47) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2289888 0.82 CCNT1 (0.60) 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.