SCHEMBL20176365

SCHEMBL20176365

COC(=O)Nc1cc2c(cn1)OCc1c-2ccc(OC[C@@](C)(N)CC(C)C)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 20/20 1.00
CYP3A4 P08684 1/20 0.55
CIT O14578 1/20 0.54
DAPK3 O43293 1/20 0.54
JAK2 O60674 1/20 0.54
DAPK1 P53355 1/20 0.54
MAP2K1 Q02750 1/20 0.54
PKN2 Q16513 1/20 0.54
TLK2 Q86UE8 1/20 0.54
HIPK4 Q8NE63 1/20 0.54
MKNK1 Q9BUB5 1/20 0.54
MYLK2 Q9H1R3 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
BMP2K Q9NSY1 1/20 0.54
STK39 Q9UEW8 1/20 0.54
TLK1 Q9UKI8 1/20 0.54

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
SCHEMBL20181537 1.00 AAK1 (1.00) AAK1CYP3A4CITDAPK3JAK2
SCHEMBL19946054 0.93 AAK1 (0.86) AAK1
SCHEMBL20176343 0.90 AAK1 (1.00) AAK1
SCHEMBL20181587 0.90 AAK1 (1.00) AAK1
SCHEMBL17971442 0.84 AAK1 (0.72) AAK1CYP3A4CITDAPK3JAK2
SCHEMBL20164814 0.83 AAK1 (1.00) AAK1
SCHEMBL20164815 0.83 AAK1 (1.00) AAK1
SCHEMBL20981517 0.83 AAK1 (0.72) AAK1
SCHEMBL19946111 0.83 AAK1 (0.86) AAK1
SCHEMBL20176334 0.82 AAK1 (0.87) 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 3 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
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 4720/4885CIT 969/4885
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 AAK1 1/4885CYP3A4 4720/4885CIT 969/4885

“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.