SCHEMBL19253018

SCHEMBL19253018

CC(C)CC(NC(=O)O)c1nc(NCCO)c2cc(-c3ccncc3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 15/20 0.45
GSK3B P49841 2/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
RPS6KB1 P23443 1/20 0.42
TYK2 P29597 1/20 0.42
CLK2 P49760 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
LRRK2 Q5S007 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
LATS1 O95835 1/20 0.40
LATS2 Q9NRM7 1/20 0.40
CHEK1 O14757 1/20 0.39
MKNK1 Q9BUB5 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
SCHEMBL17663501 0.89 AAK1 (0.59) AAK1GSK3BJAK2ROCK2MAP4K4
SCHEMBL17653379 0.88 AAK1 (0.48) AAK1GSK3BLRRK2CHEK1MKNK1
SCHEMBL19253024 0.81 AAK1 (0.47) AAK1GSK3BLRRK2CHEK1MKNK1
SCHEMBL19252997 0.80 AAK1 (0.68) AAK1GSK3BCHEK1MKNK1BMP2K
SCHEMBL17653220 0.80 AAK1 (0.45) AAK1GSK3BCHEK1MKNK1BMP2K
SCHEMBL17653406 0.79 AAK1 (0.45) AAK1GSK3BLRRK2CHEK1MKNK1
SCHEMBL17653179 0.76 AAK1 (0.62) AAK1GSK3BJAK2ROCK2MAP4K4
SCHEMBL17653189 0.75 AAK1 (0.44) AAK1GSK3BJAK2ROCK2MAP4K4
SCHEMBL16974311 0.75 AAK1 (0.47) AAK1GSK3BLRRK2CHEK1MKNK1
SCHEMBL17663443 0.75 AAK1 (0.62) AAK1

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-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 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-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS AAK1, ULK1, NCK1 AAK1 1/4885GSK3B 881/4885JAK2 974/4885

“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.