SCHEMBL1368263

SCHEMBL1368263

Cc1n[nH]c(C)c1-c1ccccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.56
AKT2 P31751 2/20 0.54
CHEK1 O14757 1/20 0.54
FTO Q9C0B1 2/20 0.53
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
MCL1 Q07820 1/20 0.43
TTR P02766 1/20 0.43
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HNF4A P41235 1/20 0.41
RAB9A P51151 2/20 0.41
ALOX15 P16050 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
SCHEMBL4559766 0.88 FTO (0.48) MYCAKT2CHEK1FTOALDH1A1
SCHEMBL13312231 0.87 CHEK1 (0.50) MYCAKT2CHEK1FTOMCL1
SCHEMBL4559764 0.79 MYC (0.50) MYCAKT2CHEK1FTOALDH1A1
SCHEMBL24770110 0.77 POLQ (0.57) AKT2CHEK1FTOKDM4EMCL1
SCHEMBL31375470 0.77 POLB (0.60) FTOALDH1A1KDM4ETSHRKMT2A
SCHEMBL14197644 0.74 KDM4E (0.57) MYCALDH1A1KDM4EUSP2TSHR
SCHEMBL11217790 0.74 MYC (0.69) MYCALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL13990881 0.73 AKT2 (0.53) AKT2CHEK1KDM4EMCL1KMT2A
SCHEMBL9512847 0.72 MYC (1.00) MYCALDH1A1KDM4EUSP2TSHR
SCHEMBL27653254 0.72 BCAT2 (0.53) MYCAKT2CHEK1FTOKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209002-A1 METAL ORGANIC FRAMEWORKS ROYAL MELBOURNE INSTITUTE OF TECHNOLOGY (AU) 2024-06-27 US disclosed
US-20240209397-A1 Thermally Stable Lipid-Nucleic Acid Molecule Formulations Utilising Metal Organic Framework (MOF) Shells COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 2024-06-27 US disclosed
US-20240180843-A1 Thermally Stable Vaccine Formulations Utilising Metal Organic Framework (MOF) Shells COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 2024-06-06 US disclosed
EP-4360751-A1 METHOD FOR PRODUCING OF A METAL ORGANIC FRAMEWORK, THE METAL ORGANIC FRAMEWORK OBTAINABLE BY SAID METHOD AND ITS USE Calistair SAS (FR) 2024-05-01 EP disclosed
US-11840580-B2 Host-guest metal organic framework systems COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2023-12-12 US disclosed
US-20220033425-A1 METAL ORGANIC FRAMEWORKS AND METHODS OF PREPARATION THEREOF ROYAL MELBOURNE INSTITUTE OF TECHNOLOGY (AU) 2022-02-03 US disclosed
US-10947321-B2 Host-guest metal organic framework systems COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2021-03-16 US disclosed
US-20170166661-A1 HOST-GUEST METAL ORGANIC FRAMEWORK SYSTEMS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2017-06-15 US disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
CN-102775430-B Coordination polymer porous material MAF-X8 and preparing method and application thereof UNIV SUN YAT SEN 2015-06-24 CN disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
CN-102775430-A Coordination polymer porous material MAF-X8 and preparing method and application thereof UNIV SUN YAT SEN 2012-11-14 CN disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-8067599-B2 Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US disclosed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP disclosed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 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 (2 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B MYC 4672/4885AKT2 3727/4885CHEK1 4685/4885
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, PRKACA MYC 499/4885AKT2 52/4885CHEK1 164/4885

“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.