SCHEMBL19782751

SCHEMBL19782751

COC(=O)CNc1c(Cl)cc(Br)c(F)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.35
▸ PKM P14618 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ COMT P21964 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ ATM Q13315 1/20 0.31
▸ PTGER4 P35408 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
SCHEMBL30189995 1.00 MAPT (0.35) MAPTPKMSMN1; SMN2GAAPOLB
SCHEMBL19776329 0.81 PGK1 (0.40) MAPTSMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL19775910 0.77 PKM (0.38) MAPTPKMGAAPOLBALDH1A1
SCHEMBL30810784 0.76 ATR (0.36) MAPTSMN1; SMN2POLBCOMTALDH1A1
SCHEMBL19776332 0.76 ATR (0.36) MAPTSMN1; SMN2POLBCOMTALDH1A1
SCHEMBL19782408 0.74 PKM (0.40) MAPTPKMSMN1; SMN2GAAPOLB
SCHEMBL19782960 0.72 MAPT (0.33) MAPTPKMCOMTALDH1A1NPSR1
SCHEMBL28909886 0.72 LMNA (0.44) MAPTPKMPOLBALDH1A1HTT
SCHEMBL13401100 0.71 PTGS2 (0.39) MAPTPKMSMN1; SMN2ALDH1A1LMNA
SCHEMBL29471193 0.70 LMNA (0.45) MAPTPKMGAAALDH1A1KDM4E

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
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 — — CN disclosed
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 — — US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 — — US disclosed
US-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 — — 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 (4 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-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, PF4 MAPT 1825/4885PKM 1896/4885SMN1; SMN2 4269/4885
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R MAPT 1726/4885PKM 2048/4885SMN1; SMN2 4221/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 MAPT 1432/4885PKM 1245/4885SMN1; SMN2 3677/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 MAPT 1155/4885PKM 1345/4885SMN1; SMN2 3957/4885

“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.

Send feedback