SCHEMBL13472107

SCHEMBL13472107

Cn1ccc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
NPC1 O15118 6/20 0.51
RAB9A P51151 5/20 0.51
RAF1 P04049 1/20 0.46
NOTUM Q6P988 1/20 0.46
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 1/20 0.45
HPGDS O60760 1/20 0.41
GRM5 P41594 1/20 0.40
CTSK P43235 1/20 0.40
MAPK14 Q16539 1/20 0.40
CYP17A1 P05093 1/20 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
SCHEMBL19781551 0.83 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL6296539 0.81 GSK3B (0.39) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL31753473 0.81 NPC1 (0.61) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL4907676 0.80 GRM5 (0.50) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL19937659 0.80 RAF1 (0.49) RAF1GSK3BDYRK1AMAPK14CYP17A1
SCHEMBL28055517 0.80 RAF1 (0.49) SMN1; SMN2ALDH1A1NPC1RAB9ARAF1
SCHEMBL13472630 0.79 NPC1 (0.63) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL31341001 0.79 GSK3B (0.40) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL15885857 0.79 IRAK4 (0.55) GSK3BDYRK1A
SCHEMBL16699185 0.79 KDM4E (0.49) SMN1; SMN2ALDH1A1LMNAKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114127058-B Heterocyclic compound, pharmaceutical composition and application thereof 深圳国顺康医药科技有限公司 2024-06-25 CN disclosed
US-11623922-B2 Compounds INFLAZOME LIMITED (IE) 2023-04-11 US disclosed
CN-112533913-A Novel compounds 英夫拉索姆有限公司 2021-03-19 CN disclosed
WO-2021000957-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 北京国鸿生物医药科技有限公司 2021-01-07 WO disclosed
US-20200392138-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-12-17 US disclosed
US-10829484-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2020-11-10 US disclosed
US-20200331886-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2020-10-22 US disclosed
CN-111511721-A Pesticidally active mesoionic heterocyclic compounds 先正达参股股份有限公司 2020-08-07 CN disclosed
WO-2019115404-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-06-20 WO disclosed
WO-2019068772-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2019-04-11 WO disclosed
CN-106459045-A Heterocyclic kinase inhibitors 艾伯维公司 2017-02-22 CN disclosed
WO-2017019804-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-02-02 WO disclosed
US-20170029413-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-02-02 US disclosed
WO-2015050989-A2 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES CS THERAPEUTICS INC. (US) 2015-04-09 WO disclosed
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 US 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-11623922-B2 Compounds NLRP3, NOD1, NLRP1 SMN1; SMN2 3895/4885ALDH1A1 616/4885LMNA 452/4885
US-20200331886-A1 NOVEL COMPOUNDS NLRP3, NOD1, NLRP1 SMN1; SMN2 4071/4885ALDH1A1 520/4885LMNA 511/4885
US-20200392138-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS DDT, ACHE, MNS1 SMN1; SMN2 487/4885ALDH1A1 891/4885LMNA 2510/4885
US-20170029413-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, PRKAR2B, MAP3K13 SMN1; SMN2 2111/4885ALDH1A1 4034/4885LMNA 1234/4885
US-10829484-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K11, PRKAR2B, MAP3K13 SMN1; SMN2 2111/4885ALDH1A1 4034/4885LMNA 1234/4885

“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.