SCHEMBL20164848

SCHEMBL20164848

Cc1cc2c(cc1OCC(N)CC(C)C)c(=O)n(C)c1cnccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 19/20 1.00
CYP3A4 P08684 3/20 0.40
ROCK2 O75116 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
SCHEMBL20164846 1.00 AAK1 (1.00) AAK1CYP3A4ROCK2
SCHEMBL15454654 0.88 AAK1 (0.79) AAK1CYP3A4
SCHEMBL15454656 0.88 AAK1 (0.79) AAK1CYP3A4
SCHEMBL19946022 0.85 AAK1 (0.75) AAK1ROCK2
SCHEMBL20164909 0.84 AAK1 (1.00) AAK1CYP3A4ROCK2
SCHEMBL20164908 0.84 AAK1 (1.00) AAK1CYP3A4ROCK2
SCHEMBL20164842 0.83 AAK1 (1.00) AAK1CYP3A4
SCHEMBL20164840 0.83 AAK1 (1.00) AAK1CYP3A4
SCHEMBL21018867 0.82 AAK1 (0.70) AAK1ROCK2
SCHEMBL15455160 0.78 AAK1 (0.81) AAK1CYP3A4

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
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 claimed
US-10174044-B2 Fused pyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 US claimed
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 US claimed
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

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 1/4885CYP3A4 4720/4885ROCK2 966/4885
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 AAK1 1/4885CYP3A4 4720/4885ROCK2 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.