Sugi Predict

Sugi Predict / Compounds / SCHEMBL285550

SCHEMBL285550

SCHEMBL285550

COCC#Cc1ccc(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 7/20 0.43
▸ GBA1 P04062 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.35
▸ ATM Q13315 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ MMP13 P45452 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL4764055 0.80 GBA1 (0.43) GRM5GBA1MCHR1SMN1; SMN2KDM4E
SCHEMBL17729343 0.79 GRM5 (0.43) GRM5TLR7KDM4ERAB9AALDH1A1
SCHEMBL22769231 0.77 GRM5 (0.43) GRM5MCHR1NPC1GAARAB9A
SCHEMBL4521816 0.77 ALDH1A1 (0.37) GRM5GBA1MCHR1SMN1; SMN2KDM4E
SCHEMBL20120587 0.75 APP (0.35) GRM5MCHR1
SCHEMBL14127796 0.75 RAB9A (0.40) GBA1TLR7SMN1; SMN2NPC1NFKB1
SCHEMBL6408537 0.74 HPGD (0.41) ATMKDM4ENPC1RAB9AALDH1A1
SCHEMBL4764093 0.74 KDM4E (0.35) GRM5GBA1TLR7MCHR1SMN1; SMN2
SCHEMBL15991273 0.74 ADRA2A (0.38) GRM5GBA1MCHR1KDM4ERAB9A
SCHEMBL8167931 0.73 KCNH2 (0.41) GBA1TLR7SMN1; SMN2NPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088087-B Tetrahydropyridine derivatives and their use as antibacterial agents 东亚ST株式会社 2022-08-09 — — CN disclosed
EP-3519387-B1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG A ST CO LTD (KR) 2021-08-11 — — EP disclosed
EP-3519387-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Dong-A ST Co., Ltd. (KR) 2019-08-07 — — EP disclosed
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents DONG-A ST CO., LTD. (KR) 2018-12-25 — — US disclosed
WO-2018062924-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-04-05 — — WO disclosed
US-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-03-29 — — US disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 — — US disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 — — US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 — — US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 — — US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 — — WO disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 — — US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 — — WO disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 — — EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 — — US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 — — US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 — — US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 — — US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 — — US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 — — EP 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 GRM5 463/4885GBA1 4305/4885TLR7 2144/4885
US-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS GALE, UGDH, PGLS GRM5 1014/4885GBA1 873/4885TLR7 122/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 GRM5 4685/4885GBA1 2369/4885TLR7 3941/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 GRM5 376/4885GBA1 4235/4885TLR7 2789/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 GRM5 4685/4885GBA1 2369/4885TLR7 3941/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS GRM5 1014/4885GBA1 873/4885TLR7 122/4885

“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.