SCHEMBL17653267

SCHEMBL17653267

CC(C)CCc1nc(C(=O)N(C)C)c2cc(-c3ccncc3)ccc2n1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 16/20 0.62
LRRK2 Q5S007 1/20 0.40
CHEK1 O14757 1/20 0.39
GSK3B P49841 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
BMP2K Q9NSY1 1/20 0.39
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL17653272 0.87 AAK1 (0.65) AAK1LRRK2CHEK1GSK3BMKNK1
SCHEMBL17653345 0.82 AAK1 (0.39) AAK1LMNA
SCHEMBL17653322 0.78 AAK1 (0.72) AAK1CHEK1GSK3BMKNK1BMP2K
SCHEMBL17653240 0.78 AAK1 (0.72) AAK1CHEK1GSK3BMKNK1BMP2K
SCHEMBL17653135 0.77 AAK1 (1.00) AAK1CHEK1GSK3BMKNK1BMP2K
SCHEMBL17653207 0.76 AAK1 (0.69) AAK1CHEK1GSK3BMKNK1BMP2K
SCHEMBL17653122 0.75 AAK1 (0.67) AAK1CHEK1GSK3BMKNK1BMP2K
SCHEMBL17653311 0.74 AAK1 (0.60) AAK1
SCHEMBL17653208 0.74 AAK1 (0.66) AAK1CHEK1GSK3BMKNK1BMP2K
SCHEMBL17653179 0.74 AAK1 (0.62) AAK1LRRK2CHEK1GSK3BMKNK1

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 5 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
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
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 1/4885LRRK2 420/4885CHEK1 176/4885

“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.