Sugi Predict

Sugi Predict / Compounds / SCHEMBL2383644

SCHEMBL2383644

SCHEMBL2383644

CCn1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 10/20 0.43
▸ LIPG Q9Y5X9 10/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37
▸ TUBA1A Q71U36 1/20 0.37
▸ TUBA1C Q9BQE3 1/20 0.37
▸ TUBB6 Q9BUF5 1/20 0.37
▸ TUBB2B Q9BVA1 1/20 0.37
▸ TUBB1 Q9H4B7 1/20 0.37
▸ CYP19A1 P11511 2/20 0.36
▸ FAAH O00519 2/20 0.36

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
SCHEMBL14790351 0.89 LPL (0.44) LPLLIPGIRAK4F11MTNR1A
SCHEMBL18230142 0.88 IRAK4 (0.43) LPLLIPGIRAK4F11MTNR1A
SCHEMBL16322931 0.85 LPL (0.38) LPLLIPGIRAK4F11MTNR1A
SCHEMBL17136726 0.85 HTR2C (0.43) LPLLIPGIRAK4
SCHEMBL17136844 0.82 LPL (0.36) LPLLIPGIRAK4TUBB4ATUBB
SCHEMBL14016154 0.82 HTR2C (0.50) —
SCHEMBL20604879 0.82 GLO1 (0.41) LPLLIPGIRAK4MTNR1AMTNR1B
SCHEMBL20605103 0.82 KMT2A (0.48) LPLLIPGF11
SCHEMBL2240402 0.82 APP (0.44) LPLLIPG
SCHEMBL762261 0.81 F11 (0.39) LPLLIPGIRAK4FAAHF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 — — US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 — — US disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 — — WO disclosed
EP-2362731-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2016-04-06 — — EP disclosed
EP-2362731-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2016-04-06 — — EP disclosed
EP-2348857-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2016-02-24 — — EP disclosed
US-9061998-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2015-06-23 — — US disclosed
US-20130345212-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2013-12-26 — — US disclosed
US-8410284-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-04-02 — — US disclosed
US-8410284-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-04-02 — — US disclosed
US-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-10-27 — — US disclosed
US-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-10-27 — — US disclosed
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-08 — — US disclosed
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-08 — — US disclosed
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-08 — — US disclosed
WO-2010047982-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-29 — — WO disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 — — US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 — — US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 — — US disclosed
WO-2010036613-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-01 — — 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-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 LPL 402/4885LIPG 287/4885IRAK4 380/4885
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 LPL 402/4885LIPG 287/4885IRAK4 380/4885
US-20130345212-A1 QUINOLINONE DERIVATIVES PRKAG2, PRKAB2, PRKAG1 LPL 1850/4885LIPG 2232/4885IRAK4 1142/4885
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 LPL 402/4885LIPG 287/4885IRAK4 380/4885
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 LPL 4519/4885LIPG 2601/4885IRAK4 1577/4885

“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.