SCHEMBL20164880

SCHEMBL20164880

CC(C)CC(N)COc1ccc2c(c1)C(C)Oc1cnccc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 15/20 1.00
CYP3A4 P08684 1/20 0.49
ROCK2 O75116 5/20 0.48
ROCK1 Q13464 2/20 0.48

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
SCHEMBL20164879 1.00 AAK1 (1.00) AAK1CYP3A4ROCK2ROCK1
SCHEMBL19310429 0.92 AAK1 (0.84) AAK1CYP3A4ROCK2ROCK1
SCHEMBL15240628 0.92 AAK1 (0.84) AAK1CYP3A4ROCK2ROCK1
SCHEMBL15241167 0.92 AAK1 (0.84) AAK1CYP3A4ROCK2ROCK1
SCHEMBL15813445 0.87 AAK1 (0.77) AAK1CYP3A4ROCK2ROCK1
SCHEMBL21018898 0.83 AAK1 (0.70) AAK1ROCK2ROCK1
SCHEMBL16568836 0.82 AAK1 (0.70) AAK1CYP3A4ROCK2ROCK1
SCHEMBL20164891 0.81 AAK1 (0.68) AAK1ROCK2ROCK1
SCHEMBL20164890 0.81 AAK1 (0.68) AAK1ROCK2ROCK1
SCHEMBL15240445 0.81 AAK1 (0.68) AAK1CYP3A4ROCK2ROCK1

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.