SCHEMBL19280407

SCHEMBL19280407

CC(C)(NCCO)C(=O)Nc1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TGM2 P21980 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.43
P2RX1 P51575 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL19280335 0.79 GAA (0.60) GAAALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL2197186 0.79 NPSR1 (0.65) GAAALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL19280329 0.78 GAA (0.52) GAAALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL22081028 0.77 GAA (0.62) GAAALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL17026960 0.75 GAA (0.56) GAAALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL19280157 0.73 PDK1 (0.39) GAAALDH1A1SMN1; SMN2L3MBTL1HTT
SCHEMBL1820206 0.72 L3MBTL1 (0.65) GAAALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL27646193 0.71 MMP8 (0.53) GAAALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL28627031 0.71 GAA (0.72) GAAALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL264735 0.70 GAA (0.66) GAAALDH1A1RAB9AHPGDSMN1; SMN2

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 GAA 4584/4885ALDH1A1 3131/4885RAB9A 493/4885

“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.