Sugi Predict

Sugi Predict / Compounds / SCHEMBL2223768

SCHEMBL2223768

SCHEMBL2223768

Cc1ccc2c(Br)cccc2n1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP1A2 P05177 4/20 0.48
▸ GRM5 P41594 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ NCF1 P14598 1/20 0.41
▸ CYP2C9 P11712 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ CCR8 P51685 1/20 0.38
▸ GPR3 P46089 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37

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
SCHEMBL29923580 1.00 BACE1 (0.60) BACE1ALDH1A1CYP1A2GRM5KCNH2
SCHEMBL28415013 0.78 BACE1 (0.64) BACE1ALDH1A1CYP1A2GRM5KCNH2
SCHEMBL826491 0.78 CYP1A2 (0.57) BACE1ALDH1A1CYP1A2NCF1CYP2C9
SCHEMBL11249229 0.78 ALDH1A1 (0.55) ALDH1A1CYP1A2NCF1CYP2C9MEN1
SCHEMBL2757268 0.75 ALDH1A1 (0.51) ALDH1A1CYP1A2NCF1POLBHTR1D
SCHEMBL1134896 0.75 METAP2 (0.52) ALDH1A1CYP1A2GRM5NCF1CYP2C9
SCHEMBL30081460 0.75 ALDH1A1 (0.51) ALDH1A1CYP1A2NCF1CYP2C9MEN1
SCHEMBL12367289 0.75 ALDH1A1 (0.51) ALDH1A1CYP1A2NCF1CYP2C9MEN1
SCHEMBL29391332 0.75 METAP2 (0.52) ALDH1A1CYP1A2GRM5NCF1CYP2C9
SCHEMBL564279 0.75 NCF1 (0.60) BACE1ALDH1A1CYP1A2NCF1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659069-A Synthesis method of 2-methyl-5- (4, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl) quinoline 南通敏言生物医药科技有限公司 2024-03-08 — — CN claimed
US-11976072-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-05-07 — — US disclosed
EP-4359415-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-05-01 — — EP disclosed
EP-4055013-B1 WDR5 INHIBITORS AND MODULATORS UNIV VANDERBILT (US) 2024-03-20 — — EP disclosed
CN-117659069-A Synthesis method of 2-methyl-5- (4, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl) quinoline 南通敏言生物医药科技有限公司 2024-03-08 — — CN disclosed
CN-117659069-A Synthesis method of 2-methyl-5- (4, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl) quinoline 南通敏言生物医药科技有限公司 2024-03-08 — — CN disclosed
CN-117355531-A Diacylglycerol kinase modulating compounds 吉利德科学公司 2024-01-05 — — CN disclosed
US-11655257-B2 MK2 inhibitors, synthesis thereof, and intermediates thereto CELGENE CAR LLC (BM) 2023-05-23 — — US disclosed
US-20230060354-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-03-02 — — US disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 — — US disclosed
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 — — US disclosed
WO-2011086469-A1 MULTIPHOTON ACTIVABLE QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-07-21 — — WO disclosed
EP-1919908-B1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2010-11-10 — — EP disclosed
US-7799815-B2 Triazole derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-09-21 — — US disclosed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 — — US disclosed
US-20090221593-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 — — US disclosed
EP-1919908-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-05-14 — — EP disclosed
WO-2007022933-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-03-01 — — WO disclosed
CN-1247590-C Process for synthesis of derivatives of 2,30dihydro-1,4-dioxino-[2,3-f]quinoline WYETH CORP (US) 2006-03-29 — — CN disclosed
CN-1509290-A Process for synthesis of derivatives of 2,30dihydro-1,4-dioxino-[2,3-f]quinoline — 2004-06-30 — — CN 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 BACE1 4107/4885ALDH1A1 3815/4885CYP1A2 4647/4885
US-20230060354-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK BACE1 4318/4885ALDH1A1 3992/4885CYP1A2 3609/4885
US-20090227628-A1 2-AMINOQUINOLINES HTR5A, HTR1A, HTR1E BACE1 215/4885ALDH1A1 1532/4885CYP1A2 517/4885
US-11976072-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK BACE1 4325/4885ALDH1A1 4095/4885CYP1A2 4595/4885
US-20090221593-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, HTR5A, HTR3C BACE1 3077/4885ALDH1A1 2304/4885CYP1A2 735/4885
US-11655257-B2 MK2 inhibitors, synthesis thereof, and intermediates thereto WEE2, WEE1, CDK2 BACE1 4109/4885ALDH1A1 3405/4885CYP1A2 415/4885

“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.