SCHEMBL19280335

SCHEMBL19280335

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
TGM2 P21980 1/20 0.56
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
P2RX1 P51575 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
IDO1 P14902 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL2197186 0.89 NPSR1 (0.65) GAATGM2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL22081028 0.83 GAA (0.62) GAATGM2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL17026960 0.82 GAA (0.56) GAATGM2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1820206 0.82 L3MBTL1 (0.65) GAATGM2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL28355718 0.81 MEN1 (0.59) GAAALDH1A1RAB9AHPGDNPSR1
SCHEMBL264735 0.79 GAA (0.66) GAATGM2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21928147 0.79 RAB9A (0.65) GAATGM2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL19707566 0.79 GAA (0.65) GAATGM2ALDH1A1RAB9AP2RX1
SCHEMBL436619 0.79 PDK1 (0.61) GAAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL19280407 0.79 GAA (0.52) GAATGM2ALDH1A1RAB9ASMN1; 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 4584/4885TGM2 4452/4885ALDH1A1 3131/4885

“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.