SCHEMBL3322413

SCHEMBL3322413

C[C@@H](COc1c[c]cc(-c2cnn(C)c2)c1)NC(=O)CN(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 3/20 0.39
▸ FGFR2 P21802 3/20 0.39
▸ FGFR4 P22455 3/20 0.39
▸ FGFR3 P22607 3/20 0.39
▸ KDR P35968 2/20 0.39
▸ WNT1 P04628 5/20 0.36
▸ GSK3B P49841 5/20 0.36
▸ DYRK1A Q13627 5/20 0.36
▸ ACACB O00763 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.35
▸ RET P07949 2/20 0.34
▸ CLK1 P49759 3/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CLK3 P49761 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL3321393 1.00 FGFR1 (0.39) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL1571575 0.84 GSK3B (0.47) WNT1GSK3BDYRK1ARETPRMT5
SCHEMBL3323284 0.84 GSK3B (0.47) WNT1GSK3BDYRK1ARETPRMT5
SCHEMBL3321397 0.81 FGFR1 (0.41) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL3323415 0.80 CLK1 (0.35) GSK3BDYRK1AACACBMAP4K1RET
SCHEMBL3323419 0.80 CLK1 (0.35) GSK3BDYRK1AACACBMAP4K1RET
SCHEMBL3502615 0.79 HCAR2 (0.38) GSK3BDYRK1AACACBCLK1PRMT5
SCHEMBL1869804 0.78 GSK3B (0.48) WNT1GSK3BDYRK1ARETCLK1
SCHEMBL1869803 0.78 GSK3B (0.48) WNT1GSK3BDYRK1ARETCLK1
SCHEMBL3317175 0.78 GSK3B (0.48) WNT1GSK3BDYRK1ARETCLK1

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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 FGFR1 794/4885FGFR2 2150/4885FGFR4 2147/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 FGFR1 236/4885FGFR2 805/4885FGFR4 1024/4885

“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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