Sugi Predict

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SCHEMBL757548

SCHEMBL757548

CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(C#N)ccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 7/20 0.48
▸ NR1H3 Q13133 1/20 0.40
▸ GABRA1 P14867 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRA6 Q16445 1/20 0.38
▸ GPR119 Q8TDV5 3/20 0.37
▸ ABCB1 P08183 6/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CNR1 P21554 1/20 0.35

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
SCHEMBL29955533 1.00 NR1H2 (0.48) NR1H2NR1H3GABRA1GABRG2GABRB3
SCHEMBL14784326 0.90 NR1H2 (0.41) NR1H2NR1H3GABRA1GABRG2GABRB3
SCHEMBL29957077 0.90 NR1H2 (0.41) NR1H2NR1H3GABRA1GABRG2GABRB3
SCHEMBL19255201 0.84 NR1H2 (0.52) NR1H2NR1H3GABRA1GABRG2GABRB3
SCHEMBL593975 0.82 NR1H2 (0.44) NR1H2NR1H3GABRG2GABRB3GABRA5
SCHEMBL17690271 0.82 ESR2 (0.40) NR1H2NR1H3GABRG2GABRB3GABRA5
SCHEMBL29957250 0.82 NR1H2 (0.44) NR1H2NR1H3GABRG2GABRB3GABRA5
SCHEMBL10187341 0.81 NR1H2 (0.41) NR1H2NR1H3GABRG2GABRB3GABRA5
SCHEMBL594560 0.81 NR1H2 (0.45) NR1H2NR1H3GABRG2GABRB3GABRA5
SCHEMBL7921587 0.81 CCNB2 (0.41) NR1H2NR1H3GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197376-A1 PYRAZINE AMIDE DERIVATIVES NOVARTIS AG (CH) 2025-06-19 — — US disclosed
WO-2024061371-A1 ANNELATED PYRIDINE STEROID SYNTHETASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 广州威诺森医药科技有限公司 2024-03-28 — — WO disclosed
CN-113166156-B Tyrosine kinase inhibitors, compositions and methods 贝达药业股份有限公司 2024-02-27 — — CN disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 — — CN disclosed
WO-2023180964-A1 PYRAZINE AMIDE DERIVATIVES NOVARTIS AG (CH) 2023-09-28 — — WO disclosed
US-20210395256-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-12-23 — — US disclosed
CN-113166156-A Tyrosine kinase inhibitors, compositions and methods thereof 贝达药业股份有限公司 2021-07-23 — — CN disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 — — US disclosed
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 — — EP disclosed
EP-2731948-B1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2015-09-09 — — EP disclosed
US-20090253697-A1 Novel Indole Derivatives, Preparation Thereof as Medicinal Products and Pharmaceutical Compositions, and Especially as KDR Inhibitors AVENTIS PHARMA S.A. (FR) 2009-10-08 — — US disclosed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 — — EP disclosed
WO-2009042092-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES MERCK & CO., INC. (US) 2009-04-02 — — WO disclosed
WO-2009042092-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES MERCK & CO., INC. (US) 2009-04-02 — — WO disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 — — US disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 — — US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 — — EP disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 — — WO disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 — — US disclosed
US-20040242559-A1 Novel indole derivatives, preparation thereof as medicinal products and pharmaceutical compositions, and especially as KDR inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-02 — — 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 (7 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-20210395256-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF ABL1, LCK, ERBB2 NR1H2 1012/4885NR1H3 927/4885GABRA1 3163/4885
US-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 NR1H2 784/4885NR1H3 799/4885GABRA1 3987/4885
US-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 NR1H2 408/4885NR1H3 401/4885GABRA1 1994/4885
US-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 NR1H2 21/4885NR1H3 25/4885GABRA1 2080/4885
US-20040242559-A1 Novel indole derivatives, preparation thereof as medicinal products and pharmaceutical compositions, and especially as KDR inhibitors FLT4, KDR, CYP3A4 NR1H2 380/4885NR1H3 285/4885GABRA1 1211/4885
US-20090253697-A1 Novel Indole Derivatives, Preparation Thereof as Medicinal Products and Pharmaceutical Compositions, and Especially as KDR Inhibitors KDR, FLT1, FLT4 NR1H2 727/4885NR1H3 730/4885GABRA1 1606/4885
US-20250197376-A1 PYRAZINE AMIDE DERIVATIVES SIRT5, GLS2, ARG2 NR1H2 298/4885NR1H3 843/4885GABRA1 3544/4885

“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.