Sugi Predict

Sugi Predict / Compounds / SCHEMBL2943288

SCHEMBL2943288

SCHEMBL2943288

CON(C)C(=O)c1ncc(Br)cc1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ PIK3CA P42336 2/20 0.33
▸ MTOR P42345 2/20 0.33
▸ PDK2 Q15119 2/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ CLK1 P49759 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31
▸ GCK P35557 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ ACACB O00763 1/20 0.31

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
SCHEMBL568769 0.84 PDK2 (0.40) MLYCDTRPM8PIK3CAMTORPDK2
SCHEMBL21591714 0.83 KMT2A (0.36) MLYCDMEN1KMT2ATDP1OPRK1
SCHEMBL23706004 0.82 KMT2A (0.39) MLYCDMEN1KMT2ATDP1OPRK1
SCHEMBL9935388 0.82 KMT2A (0.40) MEN1KMT2ATDP1PIK3CAMTOR
SCHEMBL16463055 0.82 PKM (0.36) MLYCDMEN1KMT2ATRPM8PIK3CA
SCHEMBL30134388 0.79 ALDH1A1 (0.46) MLYCDMEN1KMT2A
SCHEMBL21591673 0.79 KMT2A (0.39) MEN1KMT2ATDP1OPRK1CLK1
SCHEMBL13388557 0.79 GRM5 (0.40) PDK2BACE1GPBAR1
SCHEMBL30296581 0.79 TRPM8 (0.36) MLYCDMEN1KMT2ATDP1TRPM8
SCHEMBL26468205 0.79 TRPM8 (0.36) MLYCDMEN1KMT2ATDP1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037339-B2 Substituted imidazoles as GLP-1 receptor agonists ECCOGENE INC. (US) 2024-07-16 — — US disclosed
US-12037339-B2 Substituted imidazoles as GLP-1 receptor agonists ECCOGENE INC. (US) 2024-07-16 — — US disclosed
EP-3495360-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2019-06-12 — — EP disclosed
US-9926302-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-03-27 — — US disclosed
US-9879000-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-01-30 — — US disclosed
US-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2017-05-04 — — US disclosed
EP-3131894-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2017-02-22 — — EP disclosed
WO-2015158427-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-22 — — WO disclosed
US-20150291572-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-15 — — US disclosed
EP-2702059-B1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2015-08-19 — — EP disclosed
US-20080318976-A1 Alpha-Hydroxy Amides as Bradykinin Antagonists or Inverse Agonists MERCK SHARP & DOHME CORP. 2008-12-25 — — US disclosed
US-20070189865-A1 Amino cyclopropane carboxamide derivatives as bradykinin antagonists MERCK & CO., INC. 2007-08-16 — — US disclosed
US-7163951-B2 N-biarylmethyl aminocycloalkanecarboxamide derivatives MERCK & CO., INC. (US) 2007-01-16 — — US disclosed
EP-1723143-A2 AMINO CYCLOPROPANE CARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Merck & Co., Inc. (US) 2006-11-22 — — EP disclosed
EP-1706372-A1 ALPHA-HYDROXY AMIDES AS BRADYKININ ANTAGONISTS OR INVERSE AGONISTS Merck & Co., Inc. (US) 2006-10-04 — — EP disclosed
US-20050288305-A1 N-biarylmethyl aminocycloalkanecarboxamide derivatives MERCK SHARP & DOHME CORP. 2005-12-29 — — US disclosed
WO-2005085198-A2 AMINO CYCLOPROPANE CARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2005-09-15 — — WO disclosed
WO-2005063690-A1 ALPHA-HYDROXY AMIDES AS BRADYKININ ANTAGONISTS OR INVERSE AGONISTS MERCK & CO., INC. (US) 2005-07-14 — — WO disclosed
EP-1545538-A2 N-BIARYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES Merck & Co., Inc. (US) 2005-06-29 — — EP disclosed
WO-2004019868-A2 N-BIARYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES MERCK & CO., INC. (US) 2004-03-11 — — 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-12037339-B2 Substituted imidazoles as GLP-1 receptor agonists GLP1R, GIPR, SLC5A1 MLYCD 3460/4885MEN1 362/4885KMT2A 3521/4885
US-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES TRPV1, CACNA1B, CACNA1C MLYCD 3789/4885MEN1 4047/4885KMT2A 3739/4885
US-20080318976-A1 Alpha-Hydroxy Amides as Bradykinin Antagonists or Inverse Agonists BDKRB1, BDKRB2, HCAR2 MLYCD 4709/4885MEN1 4728/4885KMT2A 2277/4885
US-20150291572-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES TRPV1, CACNA1B, CACNA1C MLYCD 3789/4885MEN1 4047/4885KMT2A 3739/4885
US-20050288305-A1 N-biarylmethyl aminocycloalkanecarboxamide derivatives BDKRB1, BDKRB2, LTB4R2 MLYCD 4639/4885MEN1 2991/4885KMT2A 3164/4885

“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.