SCHEMBL19252992

SCHEMBL19252992

CC(C)CC(NC(=O)O)c1nc2ccc(-c3ccncc3)cc2c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 16/20 0.59
ROCK2 O75116 3/20 0.53
GPR39 O43194 1/20 0.42
CHEK1 O14757 1/20 0.41
GSK3B P49841 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
BMP2K Q9NSY1 1/20 0.41

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
SCHEMBL17653185 0.88 AAK1 (0.78) AAK1ROCK2
SCHEMBL17663462 0.85 AAK1 (0.64) AAK1ROCK2GPR39
SCHEMBL17493778 0.85 AAK1 (0.63) AAK1
SCHEMBL19252998 0.83 AAK1 (0.60) AAK1
SCHEMBL17653126 0.83 AAK1 (0.55) AAK1
SCHEMBL17653333 0.81 AAK1 (0.71) AAK1ROCK2GPR39CHEK1GSK3B
SCHEMBL16974311 0.78 AAK1 (0.47) AAK1CHEK1GSK3BMKNK1BMP2K
SCHEMBL17653379 0.77 AAK1 (0.48) AAK1CHEK1GSK3BMKNK1BMP2K
SCHEMBL19253024 0.76 AAK1 (0.47) AAK1CHEK1GSK3BMKNK1BMP2K
SCHEMBL16974180 0.76 AAK1 (0.68) AAK1CHEK1GSK3BMKNK1BMP2K

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 1/4885ROCK2 1158/4885GPR39 4460/4885

“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.