SCHEMBL22906208

SCHEMBL22906208

Cc1cn(C)c(C)c1C(=O)Nc1ccc(F)c(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.51
▸ LRRK2 Q5S007 2/20 0.45
▸ IMPDH2 P12268 4/20 0.41
▸ SLC10A1 Q14973 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ WRN Q14191 1/20 0.40
▸ AR P10275 2/20 0.39
▸ FSCN1 Q16658 1/20 0.38
▸ XDH P47989 1/20 0.38

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
SCHEMBL30093996 0.92 GRM4 (0.48) GRM4LRRK2IMPDH2SLC10A1LMNA
SCHEMBL30093984 0.92 GRM4 (0.52) GRM4LRRK2IMPDH2SLC10A1KDM4E
SCHEMBL21428173 0.92 GRM4 (0.52) GRM4LRRK2IMPDH2SLC10A1KDM4E
SCHEMBL30294224 0.88 GRM4 (0.52) GRM4LRRK2IMPDH2SLC10A1KDM4E
SCHEMBL21810315 0.85 ALDH1A1 (0.42) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL30094027 0.83 GRM4 (0.43) GRM4LRRK2IMPDH2SLC10A1BLM
SCHEMBL30094008 0.82 GRM4 (0.43) GRM4LRRK2IMPDH2SLC10A1AR
SCHEMBL23010405 0.81 GRM4 (0.48) GRM4LRRK2SLC10A1KDM4EALDH1A1
SCHEMBL21428163 0.81 GRM4 (0.48) GRM4LRRK2SLC10A1KDM4EALDH1A1
SCHEMBL22564872 0.80 GRM4 (0.52) GRM4LRRK2IMPDH2SLC10A1ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4036078-B1 CRYSTALLINE FORMS OF A CAPSID PROTEIN ASSEMBLY INHIBITOR CONTAINING A PYRROLE RING, AND APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2026-02-11 — — EP disclosed
US-12378192-B2 Crystalline form of capsid protein assembly inhibitor containing N hetero five-membered ring, and application thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-08-05 — — US disclosed
CN-114430736-B Crystal form of capsid protein assembly inhibitor containing N-hetero five-membered ring and application thereof 正大天晴药业集团股份有限公司 2024-11-29 — — CN disclosed
US-12116356-B2 N-heterocyclic five-membered ring-containing capsid protein assembly inhibitor, pharmaceutical composition thereof, and use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-10-15 — — US disclosed
US-20230212117-A2 CRYSTALLINE FORM OF CAPSID PROTEIN ASSEMBLY INHIBITOR CONTAINING N HETERO FIVE-MEMBERED RING, AND APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-07-06 — — US disclosed
US-20230212117-A2 CRYSTALLINE FORM OF CAPSID PROTEIN ASSEMBLY INHIBITOR CONTAINING N HETERO FIVE-MEMBERED RING, AND APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-07-06 — — US disclosed
US-20230212117-A2 CRYSTALLINE FORM OF CAPSID PROTEIN ASSEMBLY INHIBITOR CONTAINING N HETERO FIVE-MEMBERED RING, AND APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-07-06 — — US disclosed
US-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-15 — — US disclosed
US-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-15 — — US disclosed
CN-115974754-A N-containing heterocyclic five-membered ring compound and application 正大天晴药业集团股份有限公司 2023-04-18 — — CN disclosed
WO-2021119081-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-17 — — WO disclosed
WO-2021119081-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-17 — — WO disclosed
WO-2021058002-A1 CRYSTALLINE FORM OF CAPSID PROTEIN ASSEMBLY INHIBITOR CONTAINING N HETERO FIVE-MEMBERED RING, AND APPLICATION THEREOF 正大天晴药业集团股份有限公司 2021-04-01 — — WO disclosed
WO-2021058002-A1 CRYSTALLINE FORM OF CAPSID PROTEIN ASSEMBLY INHIBITOR CONTAINING N HETERO FIVE-MEMBERED RING, AND APPLICATION THEREOF 正大天晴药业集团股份有限公司 2021-04-01 — — WO disclosed
EP-3778569-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-02-17 — — EP disclosed
EP-3778569-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-02-17 — — EP disclosed
US-20210017154-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-01-21 — — US disclosed
US-20210017154-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-01-21 — — US disclosed
CN-111868026-A Capsid protein assembly inhibitor containing N-heterocyclic five-membered ring, pharmaceutical composition and application thereof 正大天晴药业集团股份有限公司 2020-10-30 — — CN disclosed
WO-2019185016-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 正大天晴药业集团股份有限公司 2019-10-03 — — 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 (5 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-12378192-B2 Crystalline form of capsid protein assembly inhibitor containing N hetero five-membered ring, and application thereof COPB1, RPL35, ZC3HAV1 GRM4 4293/4885LRRK2 1298/4885IMPDH2 3428/4885
US-20230212117-A2 CRYSTALLINE FORM OF CAPSID PROTEIN ASSEMBLY INHIBITOR CONTAINING N HETERO FIVE-MEMBERED RING, AND APPLICATION THEREOF COPB1, RPL35, ZC3HAV1 GRM4 4293/4885LRRK2 1298/4885IMPDH2 3428/4885
US-12116356-B2 N-heterocyclic five-membered ring-containing capsid protein assembly inhibitor, pharmaceutical composition thereof, and use thereof COG5, HAVCR2, ZC3HAV1 GRM4 4715/4885LRRK2 1174/4885IMPDH2 2637/4885
US-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 GRM4 4715/4885LRRK2 1174/4885IMPDH2 2637/4885
US-20210017154-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 GRM4 4715/4885LRRK2 1174/4885IMPDH2 2637/4885

“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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