Sugi Predict

Sugi Predict / Compounds / SCHEMBL2658313

SCHEMBL2658313

SCHEMBL2658313

Brc1cccc(-n2cnnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ DHFR P00374 2/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ ALOX5 P09917 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALKBH5 Q6P6C2 1/20 0.37
▸ POLB P06746 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
SCHEMBL30015400 1.00 MGLL (0.47) MGLLNPSR1GABRG2GABRB3GABRA5
SCHEMBL27983626 0.84 GABRG2 (0.50) MGLLGABRG2GABRB3GABRA5GABRA3
SCHEMBL267354 0.77 MAPT (0.56) MGLLMEN1KMT2AALDH1A1HPGD
SCHEMBL27380792 0.76 NPC1 (0.44) MGLLMEN1KMT2AALDH1A1DHFR
SCHEMBL29992569 0.76 IDO1 (0.64) MEN1KMT2ACYP11B1ADRA2CCYP11B2
SCHEMBL4818742 0.76 IDO1 (0.64) MEN1KMT2ACYP11B1ADRA2CCYP11B2
SCHEMBL38651508 0.76 NPC1 (0.44) MGLLMEN1KMT2AALDH1A1DHFR
SCHEMBL12841352 0.74 KEAP1 (0.52) MGLLGABRG2GABRB3GABRA5GABRA3
SCHEMBL5703372 0.74 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3MEN1
SCHEMBL30341093 0.74 MAPT (0.63) GABRG2GABRB3GABRA5GABRA3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092053-A1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2026-04-02 — — US disclosed
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 — — EP disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 — — EP disclosed
US-12410160-B2 KHK inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 — — US disclosed
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 — — EP disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 — — US disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 — — US disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 — — CN disclosed
US-20230079863-A1 KHK INHIBITORS GILEAD SCIENCES, INC. 2023-03-16 — — US disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 — — WO disclosed
US-20170291899-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 — — US disclosed
CN-107074851-A It is used as αvβ6Integrin antagonists are used for the 7-naphthyridine derivatives for treating such as fibrotic conditions 葛兰素史密斯克莱知识产权发展有限公司 2017-08-18 — — CN disclosed
EP-3197894-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-08-02 — — EP disclosed
WO-2016046230-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-31 — — WO disclosed
EP-1532120-B1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2009-01-14 — — EP disclosed
WO-2004014865-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 — — WO disclosed
US-6642229-B2 Treatment of adverse neurological conditions MERCK SHARP & DOHME LTD. 2003-11-04 — — US disclosed
US-20030176449-A1 3-Phenyl-imidazo-pyrimidine derivatives as ligands for gaba receptors APPLIED MEDICAL RESOURCES CORPORATION 2003-09-18 — — US disclosed
EP-1294723-A1 3-PHENYL-IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 — — EP disclosed
WO-2001090108-A1 3-PHENYL-IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 — — 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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 MGLL 4448/4885NPSR1 4287/4885GABRG2 2291/4885
US-20170291899-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES ITGB1, ITGB3, ITGA1 MGLL 4874/4885NPSR1 1481/4885GABRG2 1644/4885
US-20260092053-A1 KHK INHIBITORS KHK, SLC5A2, HK1 MGLL 431/4885NPSR1 3868/4885GABRG2 3463/4885
US-20230079863-A1 KHK INHIBITORS KHK, KHDRBS1, NADK MGLL 3677/4885NPSR1 3300/4885GABRG2 2096/4885
US-12410160-B2 KHK inhibitors KHK, KHDRBS1, NADK MGLL 3677/4885NPSR1 3300/4885GABRG2 2096/4885
US-20030176449-A1 3-Phenyl-imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABBR2, GABRA2 MGLL 4883/4885NPSR1 46/4885GABRG2 18/4885

“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.