SCHEMBL2318217

SCHEMBL2318217

C[Si](C)(C)CCOCn1ncc2ccc(Br)cc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 6/20 0.48
▸ DGAT1 O75907 3/20 0.47
▸ IRAK4 Q9NWZ3 2/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ HTR2A P28223 5/20 0.36
▸ HTR2C P28335 5/20 0.36
▸ HTR2B P41595 4/20 0.36
▸ HTR1A P08908 2/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR4 Q13639 1/20 0.35
▸ BRD4 O60885 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL30385717 1.00 KMO (0.48) KMODGAT1IRAK4FGFR1FGFR4
SCHEMBL1119861 0.89 DGAT1 (0.47) KMODGAT1HTR2AHTR2CNPC1
SCHEMBL2144138 0.84 HTR2A (0.39) KMODGAT1IRAK4HTR2AHTR2C
SCHEMBL30485520 0.84 HTR2A (0.39) KMODGAT1IRAK4HTR2AHTR2C
SCHEMBL30855572 0.84 HTR2A (0.36) KMODGAT1HTR2AHTR2CHTR2B
SCHEMBL16437423 0.84 KMO (0.50) KMODGAT1HTR2AHTR2CHTR2B
SCHEMBL2144622 0.84 HTR2A (0.36) KMODGAT1HTR2AHTR2CHTR2B
SCHEMBL38656212 0.82 NPC1 (0.43) KMODGAT1NPC1RAB9AKMT2A
SCHEMBL25345498 0.81 DGAT1 (0.42) DGAT1
SCHEMBL30032612 0.81 DGAT1 (0.37) KMODGAT1IRAK4HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250248998-A1 LRRK2 Inhibitors Brenig Therapeutics, Inc. 2025-08-07 — — US disclosed
EP-4504722-A2 LRRK2 INHIBITORS Brenig Therapeutics, Inc. (US) 2025-02-12 — — EP disclosed
EP-4265608-A1 BENZOHETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2023-10-25 — — EP disclosed
WO-2023196720-A2 LRRK2 INHIBITORS Brenig Therapeutics, Inc. (US) 2023-10-12 — — WO disclosed
CN-116262739-A Nitrogen-containing aryl derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-06-16 — — CN disclosed
EP-3694331-B1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2022-11-16 — — EP disclosed
US-11174248-B2 Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME CORP. (US) 2021-11-16 — — US disclosed
CN-108137510-B Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2021-07-20 — — CN disclosed
US-20210188818-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2021-06-24 — — US disclosed
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 — — US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 — — US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 — — WO disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 — — WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 — — US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 — — US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 — — US disclosed
EP-1830853-B1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES NOVARTIS AG (CH) 2011-08-10 — — EP disclosed
US-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON, INC. (CH) 2010-08-26 — — US disclosed
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON, INC. (CH) 2008-10-30 — — US disclosed
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ALCON, INC. 2006-06-29 — — 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 (8 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-20250248998-A1 LRRK2 Inhibitors LRRK2, PARK7, PINK1 KMO 1691/4885DGAT1 1666/4885IRAK4 2216/4885
US-11174248-B2 Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, BRSK2, CLK2 KMO 2276/4885DGAT1 4169/4885IRAK4 303/4885
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors LRRK2, PARK7, PINK1 KMO 913/4885DGAT1 3394/4885IRAK4 1441/4885
US-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA KMO 828/4885DGAT1 3516/4885IRAK4 2006/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA KMO 828/4885DGAT1 3516/4885IRAK4 2006/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 KMO 720/4885DGAT1 4426/4885IRAK4 11/4885
US-20210188818-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, BRSK2, CLK2 KMO 2276/4885DGAT1 4169/4885IRAK4 303/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA KMO 828/4885DGAT1 3516/4885IRAK4 2006/4885

“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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