SCHEMBL17653402

SCHEMBL17653402

CCc1nc(C(CC(C)C)NC(=O)O)nc2ccc(-c3ccncn3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.51
CYP3A4 P08684 3/20 0.35
ROCK1 Q13464 2/20 0.35
ROCK2 O75116 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PRKCG P05129 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MAPK1 P28482 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PRKX P51817 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKG1 Q13976 1/20 0.35
PKN2 Q16513 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
SGK2 Q9HBY8 1/20 0.35
CAMKK2 Q96RR4 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL17663499 0.86 AAK1 (0.53) AAK1
SCHEMBL17653077 0.82 AAK1 (0.74) AAK1GSK3B
SCHEMBL17663484 0.74 AAK1 (0.65) AAK1
SCHEMBL17653379 0.73 AAK1 (0.48) AAK1GSK3B
SCHEMBL19253024 0.73 AAK1 (0.47) AAK1GSK3B
SCHEMBL17653265 0.72 AAK1 (0.38) AAK1GSK3AGSK3B
SCHEMBL17653109 0.72 AAK1 (0.64) AAK1GSK3B
SCHEMBL19252997 0.72 AAK1 (0.68) AAK1GSK3B
SCHEMBL17653220 0.71 AAK1 (0.45) AAK1GSK3B
SCHEMBL17653406 0.70 AAK1 (0.45) AAK1GSK3B

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 3 patents. 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
EP-3200797-A1 QUINAZOLINE-BASED KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-09 EP disclosed
WO-2016053794-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 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-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS AAK1, ULK1, NCK1 AAK1 1/4885CYP3A4 4786/4885ROCK1 1223/4885

“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.