SCHEMBL19280284

SCHEMBL19280284

CN(C)C(C)(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.44
LPL P06858 12/20 0.44
IRAK4 Q9NWZ3 1/20 0.34
F11 P03951 1/20 0.34
HIF1A Q16665 1/20 0.33
FFAR1 O14842 1/20 0.33
EGFR P00533 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL581812 0.83 LIPG (0.49) LIPGLPLIRAK4HIF1AFFAR1
SCHEMBL29560947 0.83 LIPG (0.49) LIPGLPLIRAK4HIF1AFFAR1
SCHEMBL4427545 0.81 LIPG (0.47) LIPGLPLIRAK4F11HIF1A
SCHEMBL12005587 0.81 LIPG (0.47) LIPGLPLIRAK4F11HIF1A
SCHEMBL2299910 0.81 LIPG (0.47) LIPGLPLIRAK4F11HIF1A
SCHEMBL3667114 0.80 LPL (0.49) LIPGLPLF11FFAR1CA1
Hydrochloric Acid SCHEMBL15845966 0.79 LIPG (0.46) LIPGLPLIRAK4F11HIF1A
SCHEMBL10248 0.79 LPL (0.48) LIPGLPLIRAK4F11
SCHEMBL15191545 0.78 LIPG (0.44) LIPGLPLIRAK4HIF1AFFAR1
SCHEMBL23831098 0.78 LIPG (0.50) LIPGLPLIRAK4F11HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-3209664-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-30 EP 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 LIPG 4311/4885LPL 3810/4885IRAK4 220/4885

“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.