Sugi Predict

Sugi Predict / Compounds / SCHEMBL7115402

SCHEMBL7115402

SCHEMBL7115402

Cn1nc(Br)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ CNR2 P34972 4/20 0.52
▸ MAPT P10636 7/20 0.51
▸ CYP3A4 P08684 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ F2 P00734 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ CTRB1 P17538 1/20 0.41
▸ F2R P25116 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30628634 1.00 L3MBTL1 (0.62) L3MBTL1CNR2MAPTCYP3A4ALDH1A1
SCHEMBL26621652 0.88 L3MBTL1 (0.51) L3MBTL1CNR2MAPTCYP3A4ALDH1A1
SCHEMBL29741986 0.83 L3MBTL1 (0.63) L3MBTL1CNR2MAPTCYP3A4ALDH1A1
SCHEMBL12193567 0.83 L3MBTL1 (0.63) L3MBTL1CNR2MAPTCYP3A4ALDH1A1
SCHEMBL29094193 0.83 L3MBTL1 (0.63) L3MBTL1CNR2MAPTCYP3A4ALDH1A1
SCHEMBL14908618 0.81 L3MBTL1 (0.62) L3MBTL1CNR2MAPTCYP3A4ALDH1A1
Ammonia Solution, Strong SCHEMBL27978075 0.81 L3MBTL1 (0.62) L3MBTL1CNR2MAPTCYP3A4ALDH1A1
SCHEMBL13106155 0.81 L3MBTL1 (0.62) L3MBTL1CNR2MAPTMEN1KMT2A
SCHEMBL31745993 0.81 L3MBTL1 (0.62) L3MBTL1CNR2MAPTMEN1KMT2A
SCHEMBL3655742 0.81 L3MBTL1 (0.62) L3MBTL1CNR2MAPTCYP3A4ALDH1A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282735-A1 BICYCLE COMPOUNDS AS TEAD INHIBITOR DONG-A ST CO., LTD. (KR) 2025-09-11 — — US disclosed
CN-119894878-A Aromatic amide derivative and preparation method and application thereof 浙江海正药业股份有限公司 2025-04-25 — — CN disclosed
EP-4514780-A1 BICYCLE COMPOUNDS AS TEAD INHIBITOR Dong-A ST Co., Ltd. (KR) 2025-03-05 — — EP disclosed
WO-2024078569-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2024-04-18 — — WO disclosed
WO-2023209651-A1 BICYCLE COMPOUNDS AS TEAD INHIBITOR DONG-A ST CO., LTD. (KR) 2023-11-02 — — WO disclosed
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 — — US disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 — — WO disclosed
US-20180000803-A1 (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL)-2-OXOETHYL)-3-(METHYLTHIO)PYRROLIDINE-3-CARBOXAMIDE COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS MERCK SHARP & DOHME CORP. (US) 2018-01-04 — — US disclosed
US-20170362202-A1 (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL)-2-OXOETHYL)-3-(METHYLTHIO)PYRROLIDINE-3-CARBOXAMIDE COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS MERCK SHARP & DOHME CORP. (US) 2017-12-21 — — US disclosed
US-8999966-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 — — US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 — — US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 — — US disclosed
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP 2013-09-12 — — US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 — — US disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 — — WO disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 — — US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 — — US disclosed
WO-2003028762-A1 NOVEL ANTIMICROBIAL RESISTANCE BLOCKING COMPOSITIONS ETHICON, INC. (US) 2003-04-10 — — 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 (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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 L3MBTL1 3125/4885CNR2 2121/4885MAPT 1673/4885
US-20170362202-A1 (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL)-2-OXOETHYL)-3-(METHYLTHIO)PYRROLIDINE-3-CARBOXAMIDE COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS HK1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HINT1 L3MBTL1 4674/4885CNR2 1155/4885MAPT 107/4885
US-20180000803-A1 (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL)-2-OXOETHYL)-3-(METHYLTHIO)PYRROLIDINE-3-CARBOXAMIDE COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS S100P, TSLP, TPSAB1 L3MBTL1 4771/4885CNR2 1948/4885MAPT 1175/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 L3MBTL1 3535/4885CNR2 3806/4885MAPT 3731/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 L3MBTL1 3654/4885CNR2 3856/4885MAPT 3519/4885
US-20250282735-A1 BICYCLE COMPOUNDS AS TEAD INHIBITOR TEAD1, TEAD2, TEAD3 L3MBTL1 4484/4885CNR2 1569/4885MAPT 34/4885
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 L3MBTL1 3530/4885CNR2 3318/4885MAPT 3989/4885
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 L3MBTL1 3012/4885CNR2 3669/4885MAPT 3071/4885

“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.