Sugi Predict

Sugi Predict / Compounds / SCHEMBL220314

SCHEMBL220314

SCHEMBL220314

COc1c[c]c(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ NQO2 P16083 5/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ G6PD P11413 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ AR P10275 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CYP19A1 P11511 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
SCHEMBL1097867 0.83 ACHE (0.41) ACHEMAPTALDH1A1NQO2CYP3A4
SCHEMBL158115 0.81 ACHE (0.36) ACHETAAR1MAPTALDH1A1NQO2
SCHEMBL1969378 0.79 ACHE (0.39) ACHETAAR1MAPTNQO2NPC1
SCHEMBL7067522 0.77 ALDH1A1 (0.47) ACHEMAPTALDH1A1NPC1LMNA
SCHEMBL21708109 0.77 L3MBTL1 (0.39) TAAR1MAPTALDH1A1NPC1POLB
SCHEMBL1097982 0.77 TUBB1 (0.33) ACHETAAR1MAPTALDH1A1NQO2
SCHEMBL21980882 0.77 ACHE (0.33) ACHETAAR1MAPTALDH1A1NQO2
SCHEMBL1095951 0.77 NQO2 (0.37) ACHETAAR1MAPTALDH1A1NQO2
SCHEMBL21722871 0.77 CYP3A4 (0.37) ACHETAAR1MAPTLMNAPKM
SCHEMBL1636803 0.73 TUBB1 (0.33) ACHETAAR1MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002009-A2 TREATMENT OF IMATINIB RESISTANT LEUKEMIA USING 4-AMINOQUINOLINE-3-CARBONITRILES Wyeth LLC (US) 2016-04-06 — — EP claimed
EP-2566477-B1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-02 — — EP claimed
EP-2777704-A2 Treatment of imatinib resistant leukemia using 4-aminoquinoline-3-carbonitriles Wyeth LLC (US) 2014-09-17 — — EP claimed
EP-2566477-A1 AMINO-QUINOLINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-03-13 — — EP claimed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 — — US claimed
EP-1910384-B1 IMIDAZO [2,1-B]THIAZOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-10 — — EP claimed
EP-2478905-A2 Treatment of imatinib resistant leukemia using 4-aminoquinoline-3-carbonitriles Wyeth LLC (US) 2012-07-25 — — EP claimed
EP-2388263-A1 Imidazo[2,1-b]thiazole derivatives as sirtuin modulators Sirtris Pharmaceuticals, Inc. (US) 2011-11-23 — — EP claimed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 — — WO claimed
CN-101686973-A Treatment of imatinib resistant leukemia using 4-aminoquinoline-3-carbonitriles WYETH LLC 2010-03-31 — — CN claimed
EP-2152267-A2 TREATMENT OF IMATINIB RESISTANT LEUKEMIA USING 4-AMINOQUINOLINE-3-CARBONITRILES Wyeth LLC (US) 2010-02-17 — — EP claimed
US-20090099170-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-16 — — US claimed
US-20080318971-A1 using bosutinib WYETH (US) 2008-12-25 — — US claimed
WO-2008150957-A2 TREATMENT OF IMATINIB RESISTANT LEUKEMIA USING 4-AMINOQUINOLINE-3-CARBONITRILES WYETH (US) 2008-12-11 — — WO claimed
US-20070043050-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-22 — — US claimed
EP-0969829-A4 SYNTHETIC TECHNIQUES AND INTERMEDIATES FOR POLYHYDROXY, DIENYLLACTONES AND MIMICS THEREOF UNIV PENNSYLVANIA (US) 2002-06-12 — — EP claimed
EP-0969829-A1 SYNTHETIC TECHNIQUES AND INTERMEDIATES FOR POLYHYDROXY, DIENYLLACTONES AND MIMICS THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-01-12 — — EP claimed
WO-1998024429-A1 SYNTHETIC TECHNIQUES AND INTERMEDIATES FOR POLYHYDROXY, DIENYLLACTONES AND MIMICS THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-06-11 — — WO claimed
US-20220363664-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 PRAGMA THERAPEUTICS (FR) 2022-11-17 — — US disclosed
US-5789605-A DISCODERMOLIDES; ANTICARCINOGENIC AGENTS; IMMUNOSUPPRESSANTS; SPONGES; REACTING A 1,3-DIOXANYL-CONTAINING PHOSPHONIUM SALT WITH A BASE AND FURAN-CONTAINING ALKYL THIOL TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-08-04 — — 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-20090099170-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 ACHE 1600/4885TAAR1 4560/4885MAPT 625/4885
US-20220363664-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 GRM7, GRM1, GRM2 ACHE 1458/4885TAAR1 236/4885MAPT 889/4885
US-20070043050-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 ACHE 1811/4885TAAR1 4660/4885MAPT 744/4885
US-20080318971-A1 using bosutinib ABL1, BCR, MCL1 ACHE 4794/4885TAAR1 4122/4885MAPT 4863/4885
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 ACHE 3268/4885TAAR1 1279/4885MAPT 3231/4885

“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.