SCHEMBL23589367

SCHEMBL23589367

CN(C(=O)C(F)(F)F)c1ccc(Br)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
AAK1 Q2M2I8 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
XDH P47989 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
AR P10275 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32
PGR P06401 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL29714915 1.00 SMN1; SMN2 (0.34) SMN1; SMN2GAAAAK1GPBAR1XDH
SCHEMBL8378409 0.79 PDK1 (0.41) SMN1; SMN2GAAGPBAR1ALDH1A1KMT2A
SCHEMBL31289612 0.77 MAPK3 (0.37) SMN1; SMN2GAAAAK1XDHNOS3
SCHEMBL31223908 0.77 XDH (0.33) SMN1; SMN2GAAAAK1XDHNOS3
SCHEMBL21741858 0.74 KDM4E (0.44) GAAXDHNOS3NOS1NOS2
SCHEMBL596048 0.74 GAA (0.38) SMN1; SMN2GAAAAK1XDHNOS3
SCHEMBL6555780 0.70 MAPT (0.44) SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL9131221 0.69 GAA (0.47) SMN1; SMN2GAAGPBAR1ALDH1A1MEN1
SCHEMBL7983296 0.68 RIPK1 (0.41) ALDH1A1MEN1KMT2ALMNA
SCHEMBL914446 0.68 CRHR1 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AHTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12492172-B2 Substituted quinazolinyl compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2025-12-09 US disclosed
EP-4081516-B1 SUBSTITUTED QUINAZOLINYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2025-07-30 EP disclosed
US-20230094758-A1 SUBSTITUTED QUINAZOLINYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-03-30 US disclosed
EP-4081516-A1 SUBSTITUTED QUINAZOLINYL COMPOUNDS USEFUL AS T CELL ACTIVATORS Bristol-Myers Squibb Company (US) 2022-11-02 EP disclosed
CN-114846007-A Substituted quinazolinyl compounds useful as T cell activators 百时美施贵宝公司 2022-08-02 CN disclosed
WO-2021133751-A1 SUBSTITUTED QUINAZOLINYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 WO disclosed
WO-2021133751-A1 SUBSTITUTED QUINAZOLINYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 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-12492172-B2 Substituted quinazolinyl compounds useful as T cell activators DGKZ, DGKA, DGKK SMN1; SMN2 4748/4885GAA 1734/4885AAK1 219/4885
US-20230094758-A1 SUBSTITUTED QUINAZOLINYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKK SMN1; SMN2 4748/4885GAA 1734/4885AAK1 219/4885

“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.