Sugi Predict

Sugi Predict / Compounds / SCHEMBL2381706

SCHEMBL2381706

SCHEMBL2381706

COC(=O)c1ccc(Br)c2ccn(C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 4/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.39
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ MYC P01106 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HTT P42858 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 3/20 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
SCHEMBL23800439 0.88 NR4A2 (0.42) NR4A2BRD4KDM4ECA12CA1
SCHEMBL16340091 0.84 CA12 (0.34) NR4A2BRD4KDM4ECA12CA1
SCHEMBL12566558 0.82 PTPN1 (0.36) MYCKMT2ACYP1A2MAPTHSD17B10
SCHEMBL18499545 0.80 ALDH1A1 (0.33) NR4A2BRD4KDM4ECA12CA1
SCHEMBL12566559 0.78 HPGDS (0.38) KMT2AMAPTMEN1
SCHEMBL20605270 0.77 NR4A2 (0.51) NR4A2BRD4KDM4EALDH1A1LMNA
SCHEMBL31056574 0.76 BUB1 (0.36) NR4A2CA1CA2CA9ALDH1A1
SCHEMBL29326541 0.76 BUB1 (0.36) NR4A2CA1CA2CA9ALDH1A1
SCHEMBL2594909 0.76 NR4A2 (0.43) NR4A2BRD4KDM4ECA12CA1
SCHEMBL19048549 0.76 KDM4E (0.50) NR4A2BRD4KDM4ECA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 — — US disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 — — EP disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 — — EP disclosed
US-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 — — US disclosed
US-11446298-B2 Pyrimidine derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-20 — — US disclosed
CN-109153643-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2022-06-21 — — CN disclosed
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 — — US disclosed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 — — EP disclosed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 — — US disclosed
EP-3625223-A1 PYRIMIDINE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 — — EP 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-2011075607-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 — — WO disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 — — US disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 — — US disclosed
WO-2010051206-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 NR4A2 2684/4885BRD4 71/4885KDM4E 1156/4885
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, IRF3 NR4A2 1913/4885BRD4 330/4885KDM4E 450/4885
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 NR4A2 1607/4885BRD4 573/4885KDM4E 2163/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 NR4A2 2684/4885BRD4 71/4885KDM4E 1156/4885
US-11446298-B2 Pyrimidine derivatives PTGER1, PTGER4, PTGER2 NR4A2 46/4885BRD4 92/4885KDM4E 1545/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 NR4A2 46/4885BRD4 92/4885KDM4E 1545/4885
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 NR4A2 1607/4885BRD4 573/4885KDM4E 2163/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 NR4A2 2684/4885BRD4 71/4885KDM4E 1156/4885

“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.