SCHEMBL17653111

SCHEMBL17653111

CCc1nc(N(CCCC(C)C)C(=O)O)nc2ccc(-c3ccncc3)cc12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 16/20 0.59
CHEK1 O14757 1/20 0.37
GSK3B P49841 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
KCNH2 Q12809 1/20 0.37
ATM Q13315 1/20 0.37
ATR Q13535 1/20 0.37
LRRK2 Q5S007 1/20 0.36
CACNA2D1 P54289 1/20 0.35
BRAF P15056 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
SCHEMBL17653295 0.89 AAK1 (0.52) AAK1CHEK1GSK3BMKNK1BMP2K
SCHEMBL17653172 0.84 AAK1 (0.39) AAK1ATM
SCHEMBL17653212 0.81 AAK1 (0.53) AAK1LRRK2
SCHEMBL17653203 0.78 AAK1 (0.47) AAK1CHEK1GSK3BMKNK1BMP2K
SCHEMBL17653250 0.78 AAK1 (0.55) AAK1CHEK1GSK3BMKNK1BMP2K
SCHEMBL17653189 0.75 AAK1 (0.44) AAK1CHEK1GSK3BMKNK1BMP2K
SCHEMBL17653135 0.74 AAK1 (1.00) AAK1CHEK1GSK3BMKNK1BMP2K
SCHEMBL17653344 0.73 AAK1 (0.36) AAK1ATM
SCHEMBL17653152 0.70 AAK1 (0.78) AAK1CHEK1GSK3BMKNK1BMP2K
SCHEMBL17653269 0.69 AAK1 (0.42) 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 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 1/4885CHEK1 176/4885GSK3B 881/4885

“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.