SCHEMBL19783453

SCHEMBL19783453

CC(C)(C)OC(=O)NCCOc1cc2sc(Br)nc2c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
IDO1 P14902 2/20 0.38
PDK2 Q15119 1/20 0.38
FPR3 P25089 2/20 0.36
FPR2 P25090 2/20 0.36
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
EGFR P00533 1/20 0.35
ITK Q08881 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
BUB1 O43683 1/20 0.34
LCK P06239 1/20 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
SCHEMBL19782843 0.83 CA12 (0.44) SCN9ACA12CA1CA2CA9
SCHEMBL21395510 0.80 CA12 (0.45) CA12CA1CA2CA9PDK2
SCHEMBL30189776 0.80 CA12 (0.45) CA12CA1CA2CA9PDK2
SCHEMBL19783101 0.79 CA12 (0.43) SCN9ACA12CA1CA2CA9
SCHEMBL30189817 0.79 CA12 (0.43) SCN9ACA12CA1CA2CA9
SCHEMBL19782885 0.79 CA12 (0.44) CA12CA1CA2CA9IDO1
SCHEMBL30189608 0.79 CA12 (0.44) CA12CA1CA2CA9IDO1
SCHEMBL19783253 0.76 CA12 (0.41) CA12CA1CA2CA9PDK2
SCHEMBL19783430 0.73 ALDH1A1 (0.38) KDM4E
SCHEMBL30189966 0.73 CA12 (0.40) CA12CA1CA2CA9IDO1

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-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN 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 (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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 SCN9A 1666/4885CA12 3794/4885CA1 3155/4885

“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.