SCHEMBL1430179

SCHEMBL1430179

Brc1cnn(C2CCOC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ ROCK1 Q13464 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ KDM5A P29375 1/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ MET P08581 1/20 0.34
▸ MPO P05164 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ IDO1 P14902 2/20 0.33
▸ TDO2 P48775 2/20 0.33
▸ RPS6KA2 Q15349 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ SYK P43405 1/20 0.33

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
SCHEMBL15254559 1.00 LRRK2 (0.40) LRRK2NAMPTROCK1MKNK1MKNK2
SCHEMBL9990474 1.00 LRRK2 (0.40) LRRK2NAMPTROCK1MKNK1MKNK2
SCHEMBL27120216 0.90 LRRK2 (0.34) LRRK2NAMPTROCK1MKNK1MKNK2
SCHEMBL1581953 0.89 LRRK2 (0.39) LRRK2ROCK1MKNK1KDM5AIRAK4
SCHEMBL16411414 0.85 KIT (0.41) LRRK2ROCK1MKNK1MKNK2JAK2
SCHEMBL38654472 0.83 LRRK2 (0.43) LRRK2NAMPTROCK1MKNK1MKNK2
SCHEMBL6936943 0.83 LRRK2 (0.43) LRRK2NAMPTROCK1MKNK1MKNK2
SCHEMBL14466257 0.83 LRRK2 (0.43) LRRK2NAMPTROCK1MKNK1MKNK2
SCHEMBL25249934 0.79 LRRK2 (0.40) LRRK2NAMPTROCK1MKNK1MKNK2
SCHEMBL12862723 0.79 MPO (0.55) LRRK2NAMPTROCK1MKNK1MKNK2

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
US-20230054411-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2023-02-23 — — US disclosed
CN-215139841-U Energy-saving neutralization kettle for producing 4-bromopyrazole 赛乐成尔(武汉)科技有限公司 2021-12-14 — — CN disclosed
CN-215139840-U Bromination cauldron is used in 4-bromine pyrazole processing with tail gas treatment function 赛乐成尔(武汉)科技有限公司 2021-12-14 — — CN disclosed
CN-211497433-U Production device of 4-bromopyrazole 山东高瑞化工有限公司 2020-09-15 — — CN disclosed
EP-2300465-B1 IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTEX THERAPEUTICS LTD (GB) 2019-04-17 — — EP disclosed
EP-2300465-B1 IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTEX THERAPEUTICS LTD (GB) 2019-04-17 — — EP disclosed
EP-2231663-B1 6-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLMETHYL)-1,6-NAPHTHYRIDIN-5(6H)-ONE DERIVATIVES AS C-MET INHIBITORS AMGEN INC (US) 2017-08-02 — — EP disclosed
EP-3170824-A1 6-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLMETHYL)-1,6-NAPHTHYRIDIN-5(6H)-ONE DERIVATIVES AS C-MET INHIBITORS Amgen, Inc (US) 2017-05-24 — — EP disclosed
EP-2582698-B1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS INC (US) 2016-09-14 — — EP disclosed
US-9090605-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
EP-1784396-B1 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2010-12-22 — — EP disclosed
EP-2231663-A2 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AS C-MET INHIBITORS Amgen, Inc (US) 2010-09-29 — — EP disclosed
US-20100063031-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2010-03-11 — — US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 — — US disclosed
WO-2009150240-A1 IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTEX THERAPEUTICS LIMITED (GB) 2009-12-17 — — WO disclosed
WO-2009091374-A2 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2009-07-23 — — WO disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 — — US disclosed
EP-1784396-A2 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Pfizer, Inc. (US) 2007-05-16 — — EP disclosed
US-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. 2006-06-15 — — US disclosed
WO-2006021881-A2 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 — — 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-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET LRRK2 1439/4885NAMPT 963/4885ROCK1 2186/4885
US-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors MET, MAP3K15, MAP3K19 LRRK2 797/4885NAMPT 3795/4885ROCK1 434/4885
US-20100063031-A1 KINASE INHIBITOR COMPOUNDS MAP4K2, MAP3K5, MAP3K15 LRRK2 445/4885NAMPT 1094/4885ROCK1 593/4885
US-20230054411-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 LRRK2 1185/4885NAMPT 2260/4885ROCK1 1742/4885
US-20090124609-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET LRRK2 1439/4885NAMPT 963/4885ROCK1 2186/4885

“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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