SCHEMBL2355682

SCHEMBL2355682

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

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.79
CCNT1 O60563 15/20 0.79
CDK9 P50750 15/20 0.79
CDK1 P06493 14/20 0.79
CCNB1 P14635 14/20 0.79
CCNE1 P24864 14/20 0.79
CDK7 P50613 13/20 0.79
CCNH P51946 13/20 0.79
CDK4 P11802 12/20 0.79
CCND1 P24385 12/20 0.79
CCNA2 P20248 4/20 0.52
AURKA O14965 1/20 0.43
PLK1 P53350 1/20 0.43
CCNA1 P78396 1/20 0.43
IKBKB O14920 1/20 0.42
IGF1R P08069 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
SCHEMBL1531440 0.88 CDK2 (1.00) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2356752 0.85 CDK2 (0.75) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2353388 0.84 CDK2 (0.72) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2358168 0.81 CCNT1 (0.65) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2355801 0.81 CDK2 (1.00) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2363856 0.81 CCNT1 (0.69) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2283602 0.81 CDK2 (0.69) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2278963 0.80 CDK2 (0.65) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2286444 0.79 CDK2 (0.71) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2357519 0.78 CDK2 (0.67) CDK2CCNT1CDK9CDK1CCNB1

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 2065/4885CCNT1 513/4885CDK9 3151/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CCNT1 528/4885CDK9 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.