SCHEMBL13332909

SCHEMBL13332909

OCc1cnc2[nH]cc(I)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.43
▸ DYRK1A Q13627 8/20 0.40
▸ CLK1 P49759 5/20 0.40
▸ DYRK2 Q92630 2/20 0.40
▸ DYRK1B Q9Y463 2/20 0.40
▸ AXL P30530 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ TNIK Q9UKE5 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SGK1 O00141 1/20 0.37
▸ JAK2 O60674 2/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ INSR P06213 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ FES P07332 1/20 0.36

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
SCHEMBL19787915 0.83 BRD4 (0.47) BRD4DYRK1ACLK1AXLCDK8
SCHEMBL15241762 0.76 BRD4 (0.49) BRD4DYRK1ACLK1DYRK2DYRK1B
SCHEMBL13342578 0.76 KMT2A (0.47) DYRK1ACLK1DYRK2DYRK1BAXL
SCHEMBL1880862 0.73 BRD4 (0.47) BRD4DYRK1ACLK1DYRK2DYRK1B
SCHEMBL1045946 0.73 BRD4 (0.54) BRD4DYRK1ACLK1DYRK2DYRK1B
SCHEMBL11968454 0.73 BRD4 (0.47) BRD4DYRK1ACLK1DYRK2DYRK1B
SCHEMBL31228005 0.73 BRD4 (0.54) BRD4DYRK1ACLK1DYRK2DYRK1B
SCHEMBL1053943 0.73 JAK2 (0.58) BRD4AXLCDK8TNIKMAPK1
SCHEMBL68662 0.73 DYRK1A (0.58) BRD4DYRK1ACLK1DYRK2DYRK1B
SCHEMBL20292802 0.72 AXL (0.45) BRD4DYRK1ACLK1DYRK2DYRK1B

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-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 — — 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-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 BRD4 305/4885DYRK1A 462/4885CLK1 472/4885

“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.

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