SCHEMBL17653303

SCHEMBL17653303

COc1cc(NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)c(C=O)cc1-c1cnco1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 18/20 0.53
IMPDH2 P12268 2/20 0.41
IMPDH1 P20839 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
SCHEMBL17653300 1.00 AAK1 (0.53) AAK1IMPDH2IMPDH1
SCHEMBL17653397 0.93 AAK1 (0.52) AAK1IMPDH2IMPDH1
SCHEMBL17653398 0.93 AAK1 (0.52) AAK1IMPDH2IMPDH1
SCHEMBL17653360 0.89 AAK1 (0.57) AAK1IMPDH2
SCHEMBL17663453 0.84 AAK1 (0.49) AAK1
SCHEMBL17653258 0.84 AAK1 (0.49) AAK1
SCHEMBL17783161 0.84 AAK1 (0.75) AAK1IMPDH2IMPDH1
SCHEMBL17783160 0.84 AAK1 (0.75) AAK1IMPDH2IMPDH1
SCHEMBL17653278 0.83 AAK1 (0.47) AAK1
SCHEMBL17653282 0.83 AAK1 (0.47) 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 6 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
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 1/4885IMPDH2 3946/4885IMPDH1 3781/4885

“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.