Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004863

SCHEMBL2004863

SCHEMBL2004863

NC(=O)c1ccc2ocnc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 4/20 0.59
▸ WNT3A P56704 4/20 0.59
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NAMPT P43490 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ DYRK1A Q13627 2/20 0.46
▸ KLK3 P07288 1/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ FASN P49327 1/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ FGFR1 P11362 1/20 0.41
▸ FOXO1 Q12778 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40

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
Hydrochloric Acid SCHEMBL27775517 0.98 CTNNB1 (0.57) CTNNB1WNT3AMEN1ALDH1A1GAA
SCHEMBL27775537 0.98 CTNNB1 (0.57) CTNNB1WNT3AMEN1ALDH1A1GAA
Hydrochloric Acid SCHEMBL27775515 0.97 CTNNB1 (0.56) CTNNB1WNT3AMEN1ALDH1A1GAA
SCHEMBL5783191 0.86 TAS1R3 (0.52) CTNNB1WNT3AMEN1ALDH1A1GAA
SCHEMBL703854 0.84 CTNNB1 (0.65) CTNNB1WNT3AMEN1ALDH1A1GAA
SCHEMBL2004862 0.82 CTNNB1 (0.59) CTNNB1WNT3AMEN1ALDH1A1GAA
SCHEMBL4643431 0.82 CTNNB1 (0.59) CTNNB1WNT3AMEN1ALDH1A1GAA
SCHEMBL27775524 0.81 CTNNB1 (0.57) CTNNB1WNT3AMEN1ALDH1A1GAA
SCHEMBL7535839 0.79 NAMPT (0.59) CTNNB1WNT3AMEN1ALDH1A1GAA
SCHEMBL6761565 0.78 CTNNB1 (0.55) CTNNB1WNT3AMEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025050125-A1 SUBSTITUTED BENZOXAZOLYLAMINO BENZOXAZOLES IMMVENTION THERAPEUTIX (US) 2025-03-06 — — WO claimed
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 — — EP claimed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 — — US claimed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 — — US claimed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 — — US claimed
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 — — EP claimed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 — — WO claimed
CN-1735441-A Combination for treating attention deficit hyperactivity disorder PHARMACIA & UPJOHN CO LLC (US) 2006-02-15 — — CN claimed
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 — — CN disclosed
WO-2025050125-A1 SUBSTITUTED BENZOXAZOLYLAMINO BENZOXAZOLES IMMVENTION THERAPEUTIX (US) 2025-03-06 — — WO disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 — — US disclosed
CN-115124485-B Sulfoxide-containing benzoxazole derivative, and preparation method and application thereof 中国医学科学院药物研究所 2023-12-15 — — CN disclosed
US-20230255906-A1 Targeting Serpin B9 in Cancer THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2023-08-17 — — US disclosed
CN-115124485-A Benzoxazole derivatives containing sulfoxide as well as preparation method and application thereof 中国医学科学院药物研究所 2022-09-30 — — CN disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 — — WO disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 — — US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 — — EP disclosed
CN-1735441-A Combination for treating attention deficit hyperactivity disorder PHARMACIA & UPJOHN CO LLC (US) 2006-02-15 — — CN disclosed
CN-1039415-C Heterocyclic compounds ZENECA LTD (GB) 1998-08-05 — — CN disclosed
CN-1094400-A Heterogeneous ring compound ZENECA LTD (GB) 1994-11-02 — — 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-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 CTNNB1 1608/4885WNT3A 1954/4885MEN1 3467/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 CTNNB1 4709/4885WNT3A 3199/4885MEN1 1737/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 CTNNB1 1896/4885WNT3A 2065/4885MEN1 3945/4885
US-20230255906-A1 Targeting Serpin B9 in Cancer SERPINB10, SERPINB8, SERPINE1 CTNNB1 888/4885WNT3A 4108/4885MEN1 1682/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B CTNNB1 730/4885WNT3A 1920/4885MEN1 2911/4885
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 CTNNB1 4733/4885WNT3A 2557/4885MEN1 3601/4885

“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.