Sugi Predict

Sugi Predict / Compounds / SCHEMBL2242668

SCHEMBL2242668

SCHEMBL2242668

COc1cccc2nc(Cl)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.54
▸ KCNH2 Q12809 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ NQO2 P16083 2/20 0.47
▸ HPGD P15428 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ NCF1 P14598 5/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ CYBB P04839 1/20 0.41
▸ NOX5 Q96PH1 1/20 0.41
▸ ACHE P22303 1/20 0.41

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
SCHEMBL12353493 0.81 NCF1 (0.42) GRM5KCNH2ALDH1A1MAPTPOLB
SCHEMBL21195641 0.81 NCF1 (0.63) GRM5KCNH2NCF1CYBBNOX5
SCHEMBL13040594 0.81 NCF1 (0.50) ALDH1A1NCF1CYBBNOX5
SCHEMBL2242312 0.80 NCF1 (0.56) NCF1CYBBNOX5
SCHEMBL2757271 0.79 POLB (0.56) GRM5KCNH2ALDH1A1MAPTPOLB
SCHEMBL18024086 0.79 MAPT (0.46) GRM5KCNH2ALDH1A1MAPTLMNA
SCHEMBL21195764 0.78 GRM5 (0.54) GRM5KCNH2ALDH1A1MAPTPOLB
SCHEMBL28146671 0.78 GRM5 (0.54) GRM5KCNH2ALDH1A1MAPTPOLB
SCHEMBL2539705 0.78 HPGD (0.62) ALDH1A1MAPTPOLBNQO2HPGD
SCHEMBL21217198 0.76 NCF1 (0.53) GRM5KCNH2ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148272-A1 AZA BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2024-07-11 — — WO disclosed
CN-116925100-A Substituted thiophenoquinolinone compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-10-24 — — CN disclosed
CN-103797024-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2016-06-01 — — CN disclosed
CN-104918941-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-09-16 — — CN disclosed
US-8946431-B2 2-(substituted ethynyl)quinoline derivatives as mGLUr5 antagonists KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-02-03 — — US disclosed
US-20140206876-A1 2-(Substituted ethynyl)quinoline Derivatives as mGLUr5 Antagonists KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-07-24 — — US disclosed
CN-103797024-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-05-14 — — CN disclosed
EP-2262774-B1 2-aminoquinolines as 5-HT5A receptor antagonists, their manufacture and pharmaceutical compositions thereof HOFFMANN LA ROCHE (CH) 2012-11-14 — — EP disclosed
US-7994324-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-09 — — US disclosed
US-7994324-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-09 — — US disclosed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 — — US disclosed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 — — US disclosed
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 — — US disclosed
CN-101305010-A Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC (US) 2008-11-12 — — CN disclosed
EP-1934228-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-06-25 — — EP disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 — — WO disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 — — US disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 — — US disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 — — WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 — — 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 (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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF GRM5 4807/4885KCNH2 4471/4885ALDH1A1 1842/4885
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES HTR5A, HTR2C, HTR2B GRM5 20/4885KCNH2 1324/4885ALDH1A1 2103/4885
US-20140206876-A1 2-(Substituted ethynyl)quinoline Derivatives as mGLUr5 Antagonists GRM5, GRIK5, GRIA4 GRM5 1/4885KCNH2 1318/4885ALDH1A1 2785/4885
US-20090227628-A1 2-AMINOQUINOLINES HTR5A, HTR1A, HTR1E GRM5 29/4885KCNH2 1378/4885ALDH1A1 1532/4885
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 GRM5 1610/4885KCNH2 1578/4885ALDH1A1 872/4885

“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.