SCHEMBL19280254

SCHEMBL19280254

CNC(=O)C1(c2cccc(Br)c2)CC(C)(O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.41
HDAC4 P56524 1/20 0.40
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
SLC6A4 P31645 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CHRND Q07001 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
OPRL1 P41146 1/20 0.35
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL19690315 1.00 PIK3CD (0.41) PIK3CDHDAC4CHRNA1CHRNGCHRNB1
SCHEMBL19690314 1.00 PIK3CD (0.41) PIK3CDHDAC4CHRNA1CHRNGCHRNB1
SCHEMBL19690283 0.84 PIK3CD (0.45) PIK3CDHDAC4CHRNA1CHRNGCHRNB1
SCHEMBL19690288 0.84 PIK3CD (0.45) PIK3CDHDAC4CHRNA1CHRNGCHRNB1
SCHEMBL19690286 0.84 PIK3CD (0.45) PIK3CDHDAC4CHRNA1CHRNGCHRNB1
SCHEMBL19280330 0.84 HCAR3 (0.45) HDAC4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL19280315 0.84 HCAR3 (0.45) HDAC4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL19690120 0.84 HCAR3 (0.45) HDAC4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL19701802 0.84 HCAR3 (0.45) HDAC4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL19690193 0.83 MEN1 (0.43) HDAC4CHRNA1CHRNGCHRNB1CHRNB2

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
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
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 PIK3CD 14/4885HDAC4 473/4885CHRNA1 1244/4885

“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.