SCHEMBL12470673

SCHEMBL12470673

[c]1ccncc1NC1CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 4/20 0.37
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 1/20 0.33
AOC3 Q16853 3/20 0.33
MAPK1 P28482 1/20 0.32
GBA1 P04062 1/20 0.31
PTGS1 P23219 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 0.30
CDK4 P11802 1/20 0.30
CDK2 P24941 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL590878 0.88 MAPK1 (0.50) AOC3MAPK1
SCHEMBL4465079 0.70
SCHEMBL7492162 0.69 HPGD (0.42) ROCK2ROCK1KMT2AGSK3B
SCHEMBL2889282 0.68
SCHEMBL12471159 0.68 AOC1 (0.37) AOC1ROCK2ROCK1KDM4EGAA
SCHEMBL12471729 0.68 CYP3A4 (0.33) AOC1MEN1KMT2A
SCHEMBL9450315 0.65
SCHEMBL9450207 0.63 RECQL (0.35) ROCK2ROCK1
SCHEMBL27947317 0.63 KDM4E (0.33) KDM4EKMT2A
SCHEMBL9449848 0.63 PTGS1 (0.38) PTGS1

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
EP-2672967-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-12-18 EP claimed
WO-2012109075-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2012-08-16 WO 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
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 AOC1 4854/4885ROCK2 343/4885ROCK1 340/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 AOC1 4854/4885ROCK2 343/4885ROCK1 340/4885
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 AOC1 4854/4885ROCK2 343/4885ROCK1 340/4885
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 AOC1 4854/4885ROCK2 343/4885ROCK1 340/4885

“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.