SCHEMBL791635

SCHEMBL791635

O=C1Cc2[c]cccc2N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.48
PDK2 Q15119 1/20 0.48
GSK3B P49841 6/20 0.39
CDK5 Q00535 6/20 0.39
CDK5R1 Q15078 6/20 0.39
CCNB2 O95067 5/20 0.39
CDK1 P06493 5/20 0.39
CCNB1 P14635 5/20 0.39
CCNB3 Q8WWL7 5/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CCNA1 P78396 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
NPC1 O15118 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38

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
SCHEMBL2090031 0.82 NPC1 (0.50) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL345703 0.74 MAPT (0.47) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL11198759 0.73 PDE3B (0.36)
SCHEMBL4023131 0.73 AHR (0.37) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL1235044 0.71 AHR (0.70) AHRPDK2GSK3BCDK5CDK5R1
SCHEMBL6379887 0.71 AHR (0.70) AHRPDK2GSK3BCDK5CDK5R1
SCHEMBL29510715 0.71 AHR (0.70) AHRPDK2GSK3BCDK5CDK5R1
SCHEMBL1450805 0.69 ALDH1A1 (0.33) ALDH1A1MAPTBRD4CREBBPEP300
SCHEMBL1340168 0.68 MMP12 (0.40) AHRPDK2GSK3BCDK5CDK5R1
SCHEMBL970504 0.68 AHR (0.48) AHRPDK2GSK3BCDK5CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN claimed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US claimed
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US claimed
US-20230010886-A1 SHP2 INHIBITORS AND USES THEREOF Suzhou Puhe BioPharma Co., Ltd. (CN) 2023-01-12 US claimed
CN-107072205-B SMYD inhibitors EPIZYME股份有限公司 2022-07-15 CN claimed
CN-114502165-A SHP2 inhibitor and application thereof 苏州浦合医药科技有限公司 2022-05-13 CN claimed
US-20210276952-A1 NOVEL COMPOUNDS UCL BUSINESS LTD (GB) 2021-09-09 US claimed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US claimed
EP-3810131-A1 NOVEL COMPOUNDS UCL Business Ltd (GB) 2021-04-28 EP claimed
WO-2021061515-A1 SHP2 INHIBITORS AND USES THEREOF SYNBLIA THERAPEUTICS, INC. (US) 2021-04-01 WO claimed
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 EP claimed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US claimed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO claimed
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US claimed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US claimed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO claimed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 US claimed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 US claimed
EP-0347766-B1 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments THOMAE GMBH DR K (DE) 1994-05-25 EP claimed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US claimed

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

For each of this compound's patents that has machine-readable text (10 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-20230010886-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 AHR 1973/4885PDK2 1310/4885GSK3B 675/4885
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR AHR 3/4885PDK2 2085/4885GSK3B 679/4885
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS GPX4, GPX1, ACAT1 AHR 352/4885PDK2 301/4885GSK3B 2455/4885
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 AHR 3844/4885PDK2 1240/4885GSK3B 453/4885
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 AHR 346/4885PDK2 3897/4885GSK3B 3602/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 AHR 332/4885PDK2 3912/4885GSK3B 3552/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 AHR 2472/4885PDK2 1991/4885GSK3B 4088/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 AHR 1593/4885PDK2 2166/4885GSK3B 3241/4885
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS AHR 1029/4885PDK2 1161/4885GSK3B 716/4885
US-20210276952-A1 NOVEL COMPOUNDS SERPINC1, SERPINA2, SERPINA3 AHR 3072/4885PDK2 3194/4885GSK3B 2590/4885

“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.