Sugi Predict

Sugi Predict / Compounds / SCHEMBL263749

SCHEMBL263749

SCHEMBL263749

COc1cc(Br)c(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.56
▸ GAA P10253 1/20 0.50
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ HSP90AA1 P07900 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CCR6 P51684 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
SCHEMBL29885672 1.00 NPC1 (0.56) NPC1GAAPOLBL3MBTL1MAPT
SCHEMBL2125933 0.91 GAA (0.50) NPC1GAAPOLBL3MBTL1MAPT
SCHEMBL29587335 0.88 PRKDC (0.48) NPC1GAAPOLBL3MBTL1MAPT
SCHEMBL30888547 0.88 POLB (0.54) NPC1GAAPOLBL3MBTL1MAPT
SCHEMBL19709407 0.86 GAA (0.50) NPC1GAAPOLBL3MBTL1MAPT
SCHEMBL28788044 0.86 HTR2A (0.47) POLBL3MBTL1MAPTNPSR1TAAR1
SCHEMBL15724537 0.84 GAA (0.48) NPC1GAAPOLBL3MBTL1MAPT
SCHEMBL21403963 0.82 GAA (0.47) NPC1GAAPOLBL3MBTL1MAPT
SCHEMBL19404754 0.82 NQO2 (0.44) NPC1GAAPOLBL3MBTL1MAPT
SCHEMBL16609990 0.82 GAA (0.68) NPC1GAAPOLBMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109180578-B Preparation method of bosutinib 山东创新药物研发有限公司 2020-06-26 — — CN claimed
CN-115151532-B Quinoxalindione derivatives as irreversible inhibitors of KRAS G12C muteins 北京泰德制药股份有限公司 2023-06-06 — — CN disclosed
CN-115151532-A Quinoxalinedione derivatives as irreversible inhibitors of KRAS G12C muteins 北京泰德制药股份有限公司 2022-10-04 — — CN disclosed
CN-109180578-B Preparation method of bosutinib 山东创新药物研发有限公司 2020-06-26 — — CN disclosed
CN-109180578-B Preparation method of bosutinib 山东创新药物研发有限公司 2020-06-26 — — CN disclosed
CN-109180578-A A kind of preparation method of bosutinib 山东创新药物研发有限公司 2019-01-11 — — CN disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 — — US disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 — — US disclosed
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 — — EP disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 — — US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 — — US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 — — US disclosed
EP-1951684-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES Targegen, Inc. (US) 2008-08-06 — — EP disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 — — US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 — — US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 — — WO disclosed
EP-0821688-B1 NOVEL BETA-METHOXY ACRYLIC ACID DERIVATIVES, METHOD FOR PREPARING SAME, AND USE OF SAID DERIVATIVES AS PESTICIDES HOECHST SCHERING AGREVO SA (FR) 2000-07-26 — — EP disclosed
US-5985853-A β-methoxy acrylic acid derivatives, method for preparing same, and use of said derivatives as pesticides HOECHST MARION ROUSSEL (FR) 1999-11-16 — — US disclosed
EP-0821688-A1 NOVEL $g(b)-METHOXY ACRYLIC ACID DERIVATIVES, METHOD FOR PREPARING SAME, AND USE OF SAID DERIVATIVES AS PESTICIDES Hoechst Schering AgrEvo S.A. (FR) 1998-02-04 — — EP disclosed
WO-1996032399-A1 NOVEL β-METHOXY ACRYLIC ACID DERIVATIVES, METHOD FOR PREPARING SAME, AND USE OF SAID DERIVATIVES AS PESTICIDES HOECHST SCHERING AGREVO S.A. (FR) 1996-10-17 — — 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 (4 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 NPC1 4857/4885GAA 2460/4885POLB 4658/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 NPC1 4069/4885GAA 3793/4885POLB 1540/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 NPC1 4069/4885GAA 3793/4885POLB 1540/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 NPC1 4069/4885GAA 3793/4885POLB 1540/4885

“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.