SCHEMBL19710656

SCHEMBL19710656

CC(=O)N1CCN(c2cccc(C)c2)C(C)(C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.48
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
GFER P55789 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MGLL Q99685 1/20 0.41
DPP4 P27487 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
NOTUM Q6P988 1/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL19710651 0.85 PIK3CD (0.44) PIK3CDGFERCA12CA1CA2
SCHEMBL19710647 0.85 TSHR (0.44) CA12CA1CA2CA9MGLL
SCHEMBL19710837 0.85 PIK3CD (0.44) PIK3CDNPC1PKMGFERCA12
SCHEMBL19690191 0.85 PIK3CD (0.47) PIK3CDNPC1MGLLALDH1A1RAB9A
SCHEMBL19710839 0.84 PIK3CD (0.44) PIK3CDGFERCA12CA1CA2
SCHEMBL19701949 0.83 PIK3CD (0.47) PIK3CDMGLLALDH1A1HPGDMAPK1
SCHEMBL8230032 0.76 ALDH1A1 (0.61) NPC1PKMGFERCA12CA1
SCHEMBL19710524 0.76 L3MBTL1 (0.47) PIK3CDMGLLMAPTL3MBTL1LMNA
SCHEMBL22914831 0.75 ENPP2 (0.42) PIK3CDGFERALDH1A1MAPTMAPK1
SCHEMBL19711202 0.75 SMN1; SMN2 (0.41) PIK3CDNPC1DPP4ALDH1A1MAPT

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
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

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 PIK3CD 14/4885NPC1 3573/4885PKM 2814/4885

“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.