SCHEMBL12470482

SCHEMBL12470482

CNC(=O)c1[c]ccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
NUDT1 P36639 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM5A P29375 1/20 0.35
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
HPGD P15428 1/20 0.33
RPS6KA3 P51812 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL2045277 0.75
SCHEMBL2445375 0.74
SCHEMBL9449822 0.70 ALDH1A1 (0.37) MKNK1MKNK2KDM4CALDH1A1MAPT
SCHEMBL12471260 0.69 HCAR2 (0.34) MKNK1MKNK2HDAC6HDAC2HDAC8
SCHEMBL2706420 0.69 HPGD (0.42) MKNK1MKNK2CYP1A2CYP3A4KDM5A
SCHEMBL4928218 0.69 RAF1 (0.34) MKNK1MKNK2CYP1A2CYP3A4ALDH1A1
SCHEMBL29023462 0.69 ACHE (0.34) ALDH1A1
SCHEMBL10667575 0.69 CYP2C9 (0.42) NUDT1CYP1A2KDM5APKMKMT2A
SCHEMBL295086 0.68 GAA (0.42) HPGDRPS6KA3ALDH1A1HTTRECQL
SCHEMBL4926529 0.68 RAF1 (0.35) MKNK1MKNK2NUDT1CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US claimed
CN-103517710-A Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC 2014-01-15 CN claimed
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2023-09-07 US disclosed
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2022-05-24 US disclosed
EP-2672967-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-10-17 EP disclosed
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-06-08 US disclosed
US-9624213-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-18 US disclosed
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US disclosed
CN-103517710-A Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC 2014-01-15 CN disclosed
EP-2672967-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-12-18 EP disclosed
WO-2012109075-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2012-08-16 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 (4 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-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 MKNK1 113/4885MKNK2 110/4885NUDT1 2217/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 MKNK1 113/4885MKNK2 110/4885NUDT1 2217/4885
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 MKNK1 113/4885MKNK2 110/4885NUDT1 2217/4885
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 MKNK1 113/4885MKNK2 110/4885NUDT1 2217/4885

“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.