SCHEMBL19783409

SCHEMBL19783409

CC(=O)OCCOc1cc(C)c2nc(Br)sc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.43
CASP7 P55210 2/20 0.37
CASP6 P55212 1/20 0.37
ACACB O00763 3/20 0.37
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
IDO1 P14902 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
APP P05067 1/20 0.31
GLA P06280 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL19783366 0.86 IKBKB (0.47) IKBKBCASP7CASP6ACACBHTT
SCHEMBL22341973 0.81 IKBKB (0.42) IKBKBCASP7CASP6ACACBHTT
SCHEMBL13117388 0.77 HTT (0.40) IKBKBHTTL3MBTL1KDM4EMAPT
SCHEMBL19782728 0.75 F2RL3 (0.47)
SCHEMBL19783303 0.69 ACACB (0.38) ACACBHTTL3MBTL1PDE3BPDE3A
SCHEMBL19783269 0.68 IKBKB (0.31) IKBKB
SCHEMBL13117385 0.67 HTT (0.41) HTTL3MBTL1KMT2ATDP1PDE3B
SCHEMBL22392806 0.67 BACE1 (0.51) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL5504985 0.66 HTT (0.43) HTTL3MBTL1MAPTTDP1PDE3B
SCHEMBL13117392 0.66 HTT (0.40) HTTL3MBTL1KDM4EMAPTMEN1

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
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO 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 (2 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 IKBKB 1903/4885CASP7 1446/4885CASP6 1202/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 IKBKB 1709/4885CASP7 1447/4885CASP6 1573/4885

“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.