SCHEMBL16873328

SCHEMBL16873328

CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)OC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 20/20 0.69

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
SCHEMBL27039996 0.93 IRAK4 (0.60) IRAK4
SCHEMBL27040003 0.93 IRAK4 (0.60) IRAK4
SCHEMBL30726343 0.93 IRAK4 (0.60) IRAK4
SCHEMBL16873379 0.87 IRAK4 (0.71) IRAK4
SCHEMBL16872930 0.86 IRAK4 (0.73) IRAK4
SCHEMBL30726296 0.86 IRAK4 (0.65) IRAK4
SCHEMBL27039602 0.86 IRAK4 (0.65) IRAK4
SCHEMBL34464127 0.85 IRAK4 (0.67) IRAK4
SCHEMBL21069625 0.85 IRAK4 (0.67) IRAK4
Potassium Ion SCHEMBL18344711 0.85 IRAK4 (0.71) IRAK4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089973-B1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-29 EP disclosed
EP-3089973-B1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-29 EP disclosed
EP-3089973-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS Bristol-Myers Squibb Company (US) 2016-11-09 EP disclosed
US-9169252-B2 Heteroaryl substituted nicotinamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-9169252-B2 Heteroaryl substituted nicotinamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-9169252-B2 Heteroaryl substituted nicotinamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-20150191464-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-20150191464-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-20150191464-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
WO-2015103453-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed
WO-2015103453-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO 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 (1 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-20150191464-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS IRAK4, IRAK3, IRAK2 IRAK4 1/4885

“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.