SCHEMBL2736740

SCHEMBL2736740

Cc1ncc2ncccc2n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PRMT5 O14744 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
TGFBR1 P36897 1/20 0.37
NQO2 P16083 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CYP1A2 P05177 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36

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
SCHEMBL30511326 1.00 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTKDM4EPRMT5
SCHEMBL31391337 1.00 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTKDM4EPRMT5
SCHEMBL13305067 0.79 ALDH1A1 (0.45) ALDH1A1CYP3A4MAPTKDM4EPRMT5
SCHEMBL30523855 0.77 ALDH1A1 (0.52) ALDH1A1CYP3A4MAPTKDM4ENPC1
SCHEMBL9961325 0.75 LMNA (0.37) ALDH1A1MAPTCYP1A2CCR1CCR5
SCHEMBL11024480 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTKDM4ENPC1
SCHEMBL3952706 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTKDM4ENPC1
SCHEMBL41713 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTKDM4EPRMT5
SCHEMBL31029246 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTKDM4ENPC1
SCHEMBL15638042 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119075-A Targeting protein degradation agent with artemisinin analogue as hydrophobic tag and preparation method and application thereof 贵州大学 2024-12-13 CN disclosed
US-20240350496-A1 Design, Synthesis, and Structure-Activity Relationships of Substituted Pyrido[3,2-d]Pyrimidines as Microtubule Targeting Agents and Anti-Cancer Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2024-10-24 US disclosed
CN-118696042-A Crystalline forms of allyl-containing methylpyridinopyrimidine compounds 南京明德新药研发有限公司 2024-09-24 CN disclosed
CN-118696042-A Crystalline forms of allyl-containing methylpyridinopyrimidine compounds 南京明德新药研发有限公司 2024-09-24 CN disclosed
WO-2023138526-A1 CRYSTAL FORM OF ALLYL-CONTAINING METHYLPYRIDOPYRIMIDINE COMPOUND 南京明德新药研发有限公司 2023-07-27 WO disclosed
WO-2023138526-A1 CRYSTAL FORM OF ALLYL-CONTAINING METHYLPYRIDOPYRIMIDINE COMPOUND 南京明德新药研发有限公司 2023-07-27 WO disclosed
US-20230149385-A1 COMPOSITIONS AND USES THEREOF Benevolentai Cambridge Limited (GB) 2023-05-18 US disclosed
US-20230149385-A1 COMPOSITIONS AND USES THEREOF Benevolentai Cambridge Limited (GB) 2023-05-18 US disclosed
WO-2023275336-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
WO-2023275337-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
US-20130261140-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME CORP. 2013-10-03 US disclosed
EP-2514749-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY Shionogi & Co., Ltd. (JP) 2012-10-24 EP disclosed
US-20120253040-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-10-04 US disclosed
US-20120206037-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD (KR) 2012-08-16 US disclosed
EP-2310389-B1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-01-04 EP disclosed
WO-2011074560-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY 塩野義製薬株式会社 (JP) 2011-06-23 WO disclosed
WO-2009143477-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2009-11-26 WO disclosed
US-7572910-B2 Pyridazinone aldose reductase inhibitors PFIZER, INC. (US) 2009-08-11 US disclosed
US-7572910-B2 Pyridazinone aldose reductase inhibitors PFIZER, INC. (US) 2009-08-11 US disclosed
EP-1491541-B1 Pyridazinone aldose reductase inhibitors PFIZER PROD INC (US) 2007-01-24 EP 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 (5 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-20120206037-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME OCIAD1, OCIAD2, OSBPL8 ALDH1A1 1119/4885CYP3A4 1192/4885MAPT 1430/4885
US-20120253040-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY LIPG, LPL, CEL ALDH1A1 2861/4885CYP3A4 1304/4885MAPT 4884/4885
US-20230149385-A1 COMPOSITIONS AND USES THEREOF PDE2A, PDE3A, PDE3B ALDH1A1 240/4885CYP3A4 3775/4885MAPT 2998/4885
US-20240350496-A1 Design, Synthesis, and Structure-Activity Relationships of Substituted Pyrido[3,2-d]Pyrimidines as Microtubule Targeting Agents and Anti-Cancer Agents MAP2, TUBB6, TUBB1 ALDH1A1 1800/4885CYP3A4 1709/4885MAPT 29/4885
US-20130261140-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP7, DPP3 ALDH1A1 809/4885CYP3A4 82/4885MAPT 4035/4885

“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.