SCHEMBL1890731

SCHEMBL1890731

Cc1cnc2[nH]cc(Cc3cnc(NCc4ccnc(OC5CCCC5)c4)nc3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 9/20 0.61
CYP2C19 P33261 3/20 0.61
CYP3A4 P08684 14/20 0.56
CYP1A2 P05177 1/20 0.45
LOX P28300 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42

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
SCHEMBL1885218 0.87 CYP2C9 (0.79) CYP2C9CYP2C19CYP3A4
SCHEMBL2112129 0.86 CYP2C9 (0.45) CYP2C9CYP2C19CYP3A4CYP1A2LOX
SCHEMBL1880648 0.83 CYP3A4 (0.75) CYP2C9CYP2C19CYP3A4
SCHEMBL1885434 0.82 CYP3A4 (0.67) CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL1886633 0.80 CYP2C9 (0.70) CYP2C9CYP2C19CYP3A4
SCHEMBL1886407 0.79 CYP2C9 (0.78) CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL15456209 0.79 CYP3A4 (0.44) CYP2C9CYP2C19CYP3A4CYP1A2LOX
SCHEMBL1886524 0.76 CYP2C9 (1.00) CYP2C9CYP2C19CYP3A4
SCHEMBL1882714 0.75 CYP3A4 (0.73) CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL1892255 0.75 CYP3A4 (0.66) CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4295912-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Daiichi Sankyo, Inc. (US) 2023-12-27 EP disclosed
US-10123998-B2 Kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-11-13 US disclosed
US-20180055828-A1 KINASE MODULATION, AND INDICATIONS THEREFOR DAIICHI SANKYO, INC. 2018-03-01 US disclosed
US-9730918-B2 Kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-08-15 US disclosed
US-20160243092-A1 KINASE MODULATION, AND INDICATIONS THEREFOR DAIICHI SANKYO, INC. 2016-08-25 US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
EP-2827904-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2015-01-28 EP disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
WO-2013142427-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2013-09-26 WO disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 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-10123998-B2 Kinase modulation, and indications therefor FLT3, FLT4, FLT1 CYP2C9 4286/4885CYP2C19 3521/4885CYP3A4 4236/4885
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP2C9 3884/4885CYP2C19 4018/4885CYP3A4 3717/4885
US-20160243092-A1 KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, FLT4, FLT1 CYP2C9 4286/4885CYP2C19 3521/4885CYP3A4 4236/4885
US-20180055828-A1 KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, FLT4, FLT1 CYP2C9 4286/4885CYP2C19 3521/4885CYP3A4 4236/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP2C9 3884/4885CYP2C19 4018/4885CYP3A4 3717/4885

“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.