Sugi Predict

Sugi Predict / Compounds / SCHEMBL4492453

SCHEMBL4492453

SCHEMBL4492453

O=C(O)c1cc(Br)cc2c1OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ AKR1C1 Q04828 2/20 0.43
▸ AKR1C4 P17516 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ XDH P47989 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39

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
SCHEMBL31480938 1.00 AKR1C3 (0.43) AKR1C3AKR1C2AKR1C1AKR1C4SMN1; SMN2
SCHEMBL4640445 0.86 SMN1; SMN2 (0.49) AKR1C3AKR1C2AKR1C1AKR1C4SMN1; SMN2
SCHEMBL13315468 0.83 SMN1; SMN2 (0.58) AKR1C3AKR1C2AKR1C1AKR1C4SMN1; SMN2
SCHEMBL16397007 0.80 TARBP2 (0.47) SMN1; SMN2ALDH1A1MAPK1KDM4EMEN1
SCHEMBL8871624 0.79 ALDH1A1 (0.43) AKR1C3AKR1C2AKR1C1AKR1C4SMN1; SMN2
SCHEMBL19124066 0.78 KDM4E (0.40) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL8690111 0.76 RAB9A (0.38) ALDH1A1MAPK1KDM4EMEN1KMT2A
SCHEMBL9513882 0.76 SMN1; SMN2 (0.42) AKR1C3AKR1C2AKR1C1AKR1C4SMN1; SMN2
SCHEMBL5216404 0.75 KMT2A (0.42) AKR1C3AKR1C2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4630276 0.75 NPC1 (0.38) SMN1; SMN2ALDH1A1MAPK1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025063272-A1 NICOTINAMIDE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2025-03-27 — — WO disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 — — US disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 — — US disclosed
EP-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 — — EP disclosed
CN-108699098-B C-glucoside derivative having fused benzene ring or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition comprising same 第一药品株式会社 2022-01-25 — — CN disclosed
US-10752604-B2 C-glucoside derivative containing fused phenyl ring or pharmaceutically acceptable salt thereof, process for preparing same, and pharmaceutical composition comprising same Je II Pharmaceutical Co., Ltd. (KR) 2020-08-25 — — US disclosed
US-10752604-B2 C-glucoside derivative containing fused phenyl ring or pharmaceutically acceptable salt thereof, process for preparing same, and pharmaceutical composition comprising same Je II Pharmaceutical Co., Ltd. (KR) 2020-08-25 — — US disclosed
EP-3404033-B1 C-GLUCOSIDE DERIVATIVE CONTAINING FUSED PHENYL RING OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PROCESS FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME JEIL PHARMACEUTICAL CO LTD (KR) 2020-08-05 — — EP disclosed
EP-3404033-B1 C-GLUCOSIDE DERIVATIVE CONTAINING FUSED PHENYL RING OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PROCESS FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME JEIL PHARMACEUTICAL CO LTD (KR) 2020-08-05 — — EP disclosed
US-20190002425-A1 C-Glucoside Derivative Containing Fused Phenyl Ring or Pharmaceutically Acceptable Salt Thereof, Process for Preparing Same, and Pharmaceutical Composition Comprising Same JE IL PHARMACEUTICAL CO., LTD. (KR) 2019-01-03 — — US disclosed
US-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 — — US disclosed
US-7173135-B2 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB (SE) 2007-02-06 — — US disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 — — EP disclosed
US-20060089382-A1 7-[3-(4-acetylpiperazin-1-yl)propoxy]-3-cyano-6-methoxy-4-[4-(3-methoxyprop-1-ynyl)-2,3-methylenedioxyanilino]quinoline; potent anti-tumour activity; inhibition of MEK enzymes involved in the MAPK kinase pathway, inhibiting the non-receptor tyrosine-specific protein kinases ASTRAZENECA AB (SE) 2006-04-27 — — US disclosed
EP-1521751-A1 SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS Astrazeneca AB (SE) 2005-04-13 — — EP disclosed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 — — US disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 — — EP disclosed
WO-2004005284-A1 SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS ASTRAZENECA AB (SE) 2004-01-15 — — WO disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 — — WO disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 — — 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 (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-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors NRAS, BRAF, MAPK1 AKR1C3 1713/4885AKR1C2 2540/4885AKR1C1 2302/4885
US-20190002425-A1 C-Glucoside Derivative Containing Fused Phenyl Ring or Pharmaceutically Acceptable Salt Thereof, Process for Preparing Same, and Pharmaceutical Composition Comprising Same SLC5A2, SLC5A1, UGGT1 AKR1C3 862/4885AKR1C2 516/4885AKR1C1 741/4885
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 AKR1C3 4102/4885AKR1C2 3870/4885AKR1C1 4058/4885
US-10752604-B2 C-glucoside derivative containing fused phenyl ring or pharmaceutically acceptable salt thereof, process for preparing same, and pharmaceutical composition comprising same SLC5A2, SLC5A1, UGGT1 AKR1C3 862/4885AKR1C2 516/4885AKR1C1 741/4885
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 AKR1C3 3595/4885AKR1C2 4210/4885AKR1C1 4005/4885
US-20060089382-A1 7-[3-(4-acetylpiperazin-1-yl)propoxy]-3-cyano-6-methoxy-4-[4-(3-methoxyprop-1-ynyl)-2,3-methylenedioxyanilino]quinoline; potent anti-tumour activity; inhibition of MEK enzymes involved in the MAPK kinase pathway, inhibiting the non-receptor tyrosine-specific protein kinases MAPK1, MAPK3, MAPK4 AKR1C3 1548/4885AKR1C2 2005/4885AKR1C1 1941/4885

“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.