SCHEMBL19690264

SCHEMBL19690264

CC(=O)N1C[C@@H](C)N(c2cccc(Br)c2)[C@@H](C)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
PIK3CD O00329 4/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
AR P10275 1/20 0.39
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
KMT5A Q9NQR1 1/20 0.38
MGLL Q99685 3/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL19690265 1.00 ALOX5 (0.45) ALOX5PIK3CDATML3MBTL1ADAMTS5
SCHEMBL19280398 0.88 ALOX5 (0.45) ALOX5ATML3MBTL1ADAMTS5MEN1
SCHEMBL19710898 0.84 AR (0.52) ALOX5L3MBTL1ALDH1A1TP53AR
SCHEMBL19690137 0.81 USP30 (0.50) ALOX5
SCHEMBL19690138 0.81 USP30 (0.50) ALOX5
SCHEMBL19701944 0.80 NOTUM (0.52) PIK3CDKMT2AALDH1A1TP53AR
SCHEMBL19690166 0.79 PIK3CD (0.38) PIK3CDL3MBTL1ADAMTS5ALDH1A1AR
SCHEMBL19690165 0.79 PIK3CD (0.38) PIK3CDL3MBTL1ADAMTS5ALDH1A1AR
SCHEMBL19690311 0.79 PIK3CD (0.41) PIK3CD
SCHEMBL19690312 0.79 PIK3CD (0.41) PIK3CD

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 4 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
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

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 ALOX5 2803/4885PIK3CD 14/4885ATM 790/4885

“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.