SCHEMBL17783170

SCHEMBL17783170

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2cnco2)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 18/20 0.58
IMPDH2 P12268 1/20 0.56
EGFR P00533 1/20 0.50
CIT O14578 1/20 0.49
GAK O14976 1/20 0.49
PRKX P51817 1/20 0.49
PRKCQ Q04759 1/20 0.49
HASPIN Q8TF76 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
BMP2K Q9NSY1 1/20 0.49

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
SCHEMBL17783171 1.00 AAK1 (0.58) AAK1IMPDH2EGFRCITGAK
SCHEMBL17783125 0.90 AAK1 (0.65) AAK1IMPDH2EGFRCITGAK
SCHEMBL17783127 0.90 AAK1 (0.65) AAK1IMPDH2EGFRCITGAK
SCHEMBL17783160 0.88 AAK1 (0.75) AAK1IMPDH2
SCHEMBL17783161 0.88 AAK1 (0.75) AAK1IMPDH2
SCHEMBL17783049 0.88 AAK1 (0.56) AAK1EGFRCITGAKPRKX
SCHEMBL17783053 0.88 AAK1 (0.56) AAK1EGFRCITGAKPRKX
SCHEMBL16371744 0.87 IMPDH2 (0.56) AAK1IMPDH2CITGAKPRKX
SCHEMBL17783123 0.87 AAK1 (0.61) AAK1IMPDH2CITGAKPRKX
SCHEMBL17783157 0.80 AAK1 (0.67) AAK1IMPDH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253027-B2 Aryl lactam kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-09 US disclosed
US-20160152621-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 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 (2 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-20160152621-A1 ARYL LACTAM KINASE INHIBITORS AAK1, ADCK1, ANKK1 AAK1 1/4885IMPDH2 3573/4885EGFR 882/4885
US-10253027-B2 Aryl lactam kinase inhibitors AAK1, ADCK1, ANKK1 AAK1 1/4885IMPDH2 3573/4885EGFR 882/4885

“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.