SCHEMBL20181535

SCHEMBL20181535

BC(B)(B)n1c(=O)c2cc(OC[C@@](C)(N)CC(C)C)c(Cl)cc2c2ccnc(C)c21

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 20/20 0.79
CIT O14578 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
BMP2K Q9NSY1 1/20 0.46

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
SCHEMBL20164884 0.88 AAK1 (1.00) AAK1
SCHEMBL20164886 0.88 AAK1 (1.00) AAK1
SCHEMBL20164820 0.87 AAK1 (1.00) AAK1CITMKNK1BMP2K
SCHEMBL20164819 0.87 AAK1 (1.00) AAK1CITMKNK1BMP2K
SCHEMBL20164851 0.86 AAK1 (1.00) AAK1CITMKNK1BMP2K
SCHEMBL20164850 0.86 AAK1 (1.00) AAK1CITMKNK1BMP2K
SCHEMBL20164830 0.86 AAK1 (0.88) AAK1CITMKNK1BMP2K
SCHEMBL20164831 0.86 AAK1 (0.88) AAK1CITMKNK1BMP2K
SCHEMBL20181512 0.84 AAK1 (0.78) AAK1
SCHEMBL21019441 0.81 AAK1 (0.61) 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 1/4885CIT 969/4885MKNK1 59/4885
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 AAK1 1/4885CIT 969/4885MKNK1 59/4885

“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.