SCHEMBL4250692

SCHEMBL4250692

CCNC(=O)c1cnc2ccc(Br)cn12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
CLK1 P49759 9/20 0.46
TGFBR1 P36897 4/20 0.41
EPHB3 P54753 2/20 0.40
MAP3K14 Q99558 1/20 0.39
CLK2 P49760 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39

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
SCHEMBL3845576 0.84 ADORA2A (0.45) ADORA2ACLK1TGFBR1EPHB3MAP3K14
SCHEMBL26979552 0.84 CLK1 (0.60) ADORA2ACLK1TGFBR1EPHB3
SCHEMBL14108204 0.83 FYN (0.47) ADORA2ACLK1
SCHEMBL25157156 0.83 TGFBR1 (0.52) ADORA2ACLK1TGFBR1EPHB3MAP3K14
SCHEMBL4256851 0.81 TGFBR1 (0.47) CLK1TGFBR1EPHB3
SCHEMBL21387431 0.81 ADORA2A (0.44) ADORA2ACLK1TGFBR1EPHB3
SCHEMBL4256827 0.80 TGFBR1 (0.47) CLK1TGFBR1EPHB3CLK2DYRK1A
SCHEMBL25421217 0.80 CLK1 (0.52) CLK1TGFBR1CLK2DYRK1ACLK4
SCHEMBL1614377 0.79 ADORA2A (0.47) ADORA2ACLK1TGFBR1EPHB3MAP3K14
SCHEMBL15639434 0.78 PIK3CA (0.45) ADORA2ACLK1TGFBR1EPHB3MAP3K14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 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 (1 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-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PI4KA, PIP4K2A ADORA2A 771/4885CLK1 1144/4885TGFBR1 444/4885

“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.