SCHEMBL19946136

SCHEMBL19946136

CC(C)CC(COc1ccc2c(c1)COc1cnc(NC(=O)O)cc1-2)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 17/20 0.62
ROCK2 O75116 3/20 0.47

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
SCHEMBL20176328 0.94 AAK1 (0.71) AAK1ROCK2
SCHEMBL20176332 0.94 AAK1 (0.72) AAK1ROCK2
SCHEMBL15240960 0.90 AAK1 (0.57) AAK1ROCK2
SCHEMBL15240957 0.90 AAK1 (0.57) AAK1ROCK2
SCHEMBL19946043 0.86 AAK1 (0.76) AAK1ROCK2
SCHEMBL20176322 0.85 AAK1 (0.62) AAK1ROCK2
SCHEMBL15251643 0.84 AAK1 (0.65) AAK1ROCK2
SCHEMBL15240914 0.84 AAK1 (0.65) AAK1ROCK2
SCHEMBL15250457 0.84 AAK1 (0.58) AAK1ROCK2
SCHEMBL15240912 0.84 AAK1 (0.65) AAK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3292124-B1 6H-ISOCHROMENO[3,4-C]PYRIDINES AND BENZO[C][1,7]NAPHTHYRIDIN-6-(5H)-ONES AS ADAPTOR ASSOCIATED KINASE 1 (AAK1) INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-05-22 EP disclosed
US-10174044-B2 Fused pyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 US disclosed
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 US disclosed
EP-3292124-A2 FUSED PYRIDINES AS ADAPTOR ASSOCIATED KINASE 1 (AAK1) INHIBITORS Bristol-Myers Squibb Company (US) 2018-03-14 EP 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-10174044-B2 Fused pyridines as kinase inhibitors AAK1, NCK1, ADCK1 AAK1 1/4885ROCK2 966/4885
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 AAK1 1/4885ROCK2 966/4885

“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.