SCHEMBL21395532

SCHEMBL21395532

CC(C)(C)OC(=O)Nc1c(Cl)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.38
▸ ATR Q13535 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL19775905 0.82 ATR (0.41) LCKATRPKMMAPTPOLB
SCHEMBL25863199 0.78 LCK (0.39) LCKAAK1ALDH1A1MAPTPOLB
SCHEMBL19776195 0.78 LCK (0.44) LCKATRALDH1A1HPGDMAPT
SCHEMBL19776326 0.77 CYP1A2 (0.50) LCKALDH1A1HPGDMAPTLMNA
SCHEMBL30810784 0.77 ATR (0.36) LCKATRAAK1ALDH1A1MAPT
SCHEMBL19776332 0.77 ATR (0.36) LCKATRAAK1ALDH1A1MAPT
SCHEMBL975856 0.76 ABCB1 (0.53) PKMAAK1ALDH1A1MAPTCYP1A2
SCHEMBL29430688 0.76 ABCB1 (0.53) PKMAAK1ALDH1A1MAPTCYP1A2
SCHEMBL25863196 0.76 MMP1 (0.37) LCKALDH1A1MAPTHTTALOX5
SCHEMBL5562912 0.76 NPC1 (0.41) PKMALDH1A1MAPTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528827-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2026-01-20 — — US disclosed
US-20240309019-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-09-19 — — US disclosed
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 — — US disclosed
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-19 — — US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 — — CN disclosed
CN-109689649-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2022-07-19 — — 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-10730868-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 — — 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-20190300520-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-10-03 — — US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 — — US 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 (10 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 LCK 2435/4885ATR 2659/4885PKM 1345/4885
US-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, PF4 LCK 2772/4885ATR 2258/4885PKM 1896/4885
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R LCK 3089/4885ATR 2017/4885PKM 2048/4885
US-10730868-B2 Bicyclic heteroaryl substituted compounds F2, PF4, F2RL3 LCK 2019/4885ATR 3750/4885PKM 976/4885
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors F2RL3, PARP14, F2R LCK 3060/4885ATR 1984/4885PKM 2104/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 LCK 3039/4885ATR 2705/4885PKM 1245/4885
US-20190300520-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS PF4, F2, F2RL3 LCK 2181/4885ATR 3748/4885PKM 858/4885
US-20240309019-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R LCK 3089/4885ATR 2017/4885PKM 2048/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 LCK 2435/4885ATR 2659/4885PKM 1345/4885
US-12528827-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors F2RL3, F2R, PF4 LCK 4074/4885ATR 2925/4885PKM 4608/4885

“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.

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