SCHEMBL2286339

SCHEMBL2286339

COCCNc1ncc(-c2ccnc(Nc3ccc(N(CCOC)C(=O)O)cc3)n2)s1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.46
CCNT1 O60563 2/20 0.46
CDK1 P06493 2/20 0.46
CCNB1 P14635 2/20 0.46
CCNA2 P20248 2/20 0.46
CDK7 P50613 2/20 0.46
CDK9 P50750 2/20 0.46
CCNH P51946 2/20 0.46
CCNA1 P78396 2/20 0.46
IKBKB O14920 5/20 0.42
CHUK O15111 4/20 0.42
IKBKG Q9Y6K9 4/20 0.42
CDK4 P11802 3/20 0.40
JAK2 O60674 3/20 0.39
SYK P43405 2/20 0.39
JAK3 P52333 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPK14 Q16539 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL2353118 0.90 JAK2 (0.46) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL2283255 0.88 CDK2 (0.44) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL2286487 0.87 CDK2 (0.44) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL2286095 0.86 CDK2 (0.43) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL2278999 0.86 CDK2 (0.43) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL2286136 0.86 IKBKB (0.42) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL2283774 0.84 IKBKB (0.41) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL2283487 0.84 CDK2 (0.44) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL2282220 0.84 KCNH3 (0.52) CDK2CCNT1CDK1CCNB1CCNA2
SCHEMBL2282072 0.82 CDK2 (0.50) CDK2CCNT1CDK1CCNB1CCNA2

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 513/4885CDK1 793/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CCNT1 528/4885CDK1 857/4885

“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.