Sugi Predict

Sugi Predict / Compounds / SCHEMBL16632434

SCHEMBL16632434

SCHEMBL16632434

COC(=O)c1ncc(F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.41
▸ OPRK1 P41145 1/20 0.38
▸ NOTUM Q6P988 2/20 0.37
▸ SOS1 Q07889 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ AGBL2 Q5U5Z8 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KEAP1 Q14145 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
SCHEMBL30960730 1.00 NPSR1 (0.41) NPSR1OPRK1NOTUMSOS1KDM4E
SCHEMBL29738141 0.82 NPSR1 (0.43) NPSR1OPRK1KDM4EL3MBTL1ALDH1A1
SCHEMBL644695 0.82 NPSR1 (0.43) NPSR1OPRK1KDM4EL3MBTL1ALDH1A1
SCHEMBL6057160 0.82 NPSR1 (0.43) NPSR1OPRK1MAPK1TSHRHTT
SCHEMBL29228593 0.82 ALDH1A1 (0.39) NPSR1ALDH1A1TSHR
SCHEMBL26910332 0.81 NPSR1 (0.42) NPSR1KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL10314919 0.81 NPSR1 (0.42) NPSR1KDM4EL3MBTL1ATMMAPK1
SCHEMBL17978199 0.81 MAPK1 (0.51) NPSR1NOTUMKDM4EL3MBTL1ALDH1A1
SCHEMBL1915284 0.81 ATM (0.47) NPSR1OPRK1KDM4EL3MBTL1ALDH1A1
SCHEMBL2592299 0.81 AGBL2 (0.47) NPSR1OPRK1KDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 — — EP disclosed
US-20260028352-A1 MACROCYCLIC IMIDAZO [1,2-B] PYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SUZHOU LANGRUI BIOPHARMACEUTICAL CO LTD (CN) 2026-01-29 — — US disclosed
EP-4585598-A1 MACROCYCLIC IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Suzhou Langrui Biopharmaceutical Co., Ltd. (CN) 2025-07-16 — — EP disclosed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 — — WO disclosed
US-20240352037-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. 2024-10-24 — — US disclosed
US-12054498-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2024-08-06 — — US disclosed
WO-2024059186-A1 N-((ISOQUINOLIN-6-YL)METHYL)-1H-PYRAZOLE-4-CARBOXAMID DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS FOR THE TREATMENT OF HEREDITARY ANGIOEDEMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 — — WO disclosed
CN-117659043-A Macrocyclic imidazo [1,2-b ] pyridazine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-03-08 — — CN disclosed
CN-117659020-A Imidazo [1,2-b ] pyridazine derivative, and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-03-08 — — CN disclosed
CN-116444493-A Derivative containing double parallel rings, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-07-18 — — CN disclosed
US-20180179180-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — US disclosed
US-20180179180-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — US disclosed
US-20160257668-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-09-08 — — US disclosed
US-20160257668-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-09-08 — — US disclosed
US-20160257668-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-09-08 — — US disclosed
EP-3054944-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-08-17 — — EP disclosed
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 — — US disclosed
WO-2015054087-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 — — WO disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 — — US disclosed
WO-2015054087-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 — — 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 (6 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-20180179180-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI NPSR1 3358/4885OPRK1 3827/4885NOTUM 757/4885
US-20160257668-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI NPSR1 3358/4885OPRK1 3827/4885NOTUM 757/4885
US-20260028352-A1 MACROCYCLIC IMIDAZO [1,2-B] PYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF WEE2, WEE1, ROR1 NPSR1 3208/4885OPRK1 431/4885NOTUM 777/4885
US-20240352037-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ABCB1, CYP2C8, PAICS NPSR1 4365/4885OPRK1 3273/4885NOTUM 1990/4885
US-12054498-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 NPSR1 4470/4885OPRK1 2794/4885NOTUM 2045/4885
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR NPSR1 4117/4885OPRK1 2613/4885NOTUM 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.