SCHEMBL3819444

SCHEMBL3819444

Nc1ncnc2c1c(I)cn2Cc1ccc(NC(=O)NCCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.47
▸ DYRK3 O43781 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PHKG2 P15735 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ MARK3 P27448 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ IRAK1 P51617 1/20 0.43
▸ CSNK1G2 P78368 1/20 0.43
▸ MAP4K2 Q12851 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ CAMK2G Q13555 1/20 0.43
▸ CAMK2D Q13557 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ MELK Q14680 1/20 0.43

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
SCHEMBL3811612 0.77 DYRK3 (0.56) FLT3DYRK3ROCK2PRKD3MAP4K4
SCHEMBL3813067 0.76 SRC (0.48) FLT3DYRK3ROCK2PRKD3MAP4K4
SCHEMBL16236686 0.73 DYRK3 (0.52) FLT3DYRK3ROCK2PRKD3MAP4K4
SCHEMBL3869981 0.73 FLT3 (0.49) FLT3ROCK2MAP4K4PRKACAMARK3
SCHEMBL3817538 0.72 SLC29A1 (0.47) FLT3DYRK3ROCK2PRKD3MAP4K4
SCHEMBL23885307 0.70 DYRK3 (0.58) FLT3DYRK3ROCK2PRKD3MAP4K4
SCHEMBL16236417 0.70 DYRK3 (0.58) FLT3DYRK3ROCK2PRKD3MAP4K4
SCHEMBL16236635 0.70 DYRK3 (0.52) FLT3DYRK3ROCK2PRKD3MAP4K4
SCHEMBL23966679 0.70 DYRK3 (0.60) FLT3DYRK3ROCK2PRKD3MAP4K4
SCHEMBL16254855 0.69 DYRK3 (0.51) FLT3DYRK3ROCK2PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730148-A4 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS ABBOTT LAB (US) 2009-08-19 — — EP disclosed
EP-1730148-A2 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2006-12-13 — — EP disclosed
US-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABBOTT LABORATORIES 2006-02-02 — — US disclosed
WO-2005074603-A2 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-08-18 — — WO 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-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABL1, MAP3K19, MAP3K20 FLT3 102/4885DYRK3 633/4885ROCK2 1479/4885

“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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