SCHEMBL12470709

SCHEMBL12470709

[c]1cncc(NCC2CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.36
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
GRIN2B Q13224 2/20 0.34
CYP3A4 P08684 1/20 0.34
AOC1 P19801 1/20 0.33
AOC3 Q16853 1/20 0.33
PTGER4 P35408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
CRHR1 P34998 2/20 0.31
EGLN2 Q96KS0 1/20 0.30
RIPK2 O43353 1/20 0.30
PDE5A O76074 1/20 0.30
GSK3A P49840 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
SCHEMBL15367072 0.93 AOC1 (0.38) KDM4CCYP2D6CYP2C9GRIN2BCYP3A4
SCHEMBL9899982 0.72 AOC1 (0.33) AOC1
SCHEMBL12471012 0.69 CARM1 (0.39) CYP2D6CYP2C9GRIN2BCYP3A4PTGER4
SCHEMBL12470527 0.68 HRH4 (0.31)
SCHEMBL12615849 0.68 HRH4 (0.36) KDM4CCYP2D6CYP2C9GRIN2BCYP3A4
SCHEMBL1615309 0.67 CARM1 (0.39) KDM4CCYP2D6CYP2C9GRIN2BCYP3A4
SCHEMBL6647798 0.67 CYP2D6 (0.49) KDM4CCYP2D6CYP2C9GRIN2BAOC1
SCHEMBL28976244 0.67 KCNH3 (0.38) CYP2C9CYP3A4MKNK1EGLN2RIPK2
SCHEMBL2067216 0.66
SCHEMBL12471137 0.64 KDM4C (0.36) KDM4CCYP2D6CYP2C9GRIN2BCYP3A4

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 10 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
CN-115531387-A Pyrazole amide compounds useful as IRAK inhibitors 里格尔药品股份有限公司 2022-12-30 CN 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

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 KDM4C 3595/4885CYP2D6 4450/4885CYP2C9 4771/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 KDM4C 3595/4885CYP2D6 4450/4885CYP2C9 4771/4885
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 KDM4C 3595/4885CYP2D6 4450/4885CYP2C9 4771/4885
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 KDM4C 3595/4885CYP2D6 4450/4885CYP2C9 4771/4885

“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.