SCHEMBL20181301

SCHEMBL20181301

BC(B)(Oc1cc2c(=O)n(CC)c3c(C)nccc3c2cc1Cl)C(C)(N)CC(C)C

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 18/20 0.74
DYRK1A Q13627 1/20 0.36
HASPIN Q8TF76 1/20 0.34
DYRK2 Q92630 1/20 0.34

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
SCHEMBL20164850 0.85 AAK1 (1.00) AAK1
SCHEMBL20164851 0.85 AAK1 (1.00) AAK1
SCHEMBL21018885 0.84 AAK1 (0.61) AAK1DYRK1A
SCHEMBL19946128 0.83 AAK1 (0.84) AAK1
SCHEMBL19946055 0.78 AAK1 (0.66) AAK1DYRK1AHASPINDYRK2
SCHEMBL19946065 0.77 AAK1 (0.67) AAK1
SCHEMBL20176314 0.76 AAK1 (0.71) AAK1
SCHEMBL21019093 0.76 AAK1 (0.66) AAK1DYRK1AHASPINDYRK2
SCHEMBL20181535 0.76 AAK1 (0.79) AAK1
SCHEMBL21018869 0.75 AAK1 (0.53) AAK1DYRK1AHASPINDYRK2

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 1/4885DYRK1A 518/4885HASPIN 734/4885
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 AAK1 1/4885DYRK1A 518/4885HASPIN 734/4885

“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.