SCHEMBL20181309

SCHEMBL20181309

BC(B)(Oc1ccc2c(c1)c(=O)n(C)c1c(C)nccc21)C(C)(N)CC(C)C

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 18/20 0.72
HASPIN Q8TF76 1/20 0.41
MAOA P21397 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL20164859 0.83 AAK1 (1.00) AAK1
SCHEMBL19946028 0.83 AAK1 (1.00) AAK1
SCHEMBL20164813 0.83 AAK1 (1.00) AAK1
SCHEMBL21019425 0.82 AAK1 (0.73) AAK1DYRK1A
SCHEMBL19946158 0.82 AAK1 (0.82) AAK1MAOADYRK1A
SCHEMBL19946110 0.78 AAK1 (0.62) AAK1MAOADYRK1A
SCHEMBL20164864 0.77 AAK1 (0.87) AAK1
SCHEMBL20164865 0.77 AAK1 (0.87) AAK1
SCHEMBL19946123 0.76 AAK1 (0.84) AAK1DYRK1A
SCHEMBL20181512 0.76 AAK1 (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885HASPIN 734/4885MAOA 4059/4885
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 AAK1 1/4885HASPIN 734/4885MAOA 4059/4885

“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.