SCHEMBL1891900

SCHEMBL1891900

COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(F)cc34)cn2)cn1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 9/20 0.79
CYP2C19 P33261 5/20 0.79
CYP3A4 P08684 13/20 0.73
CSF1R P07333 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP1A2 P05177 1/20 0.46

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
SCHEMBL1266441 0.90 CYP3A4 (0.79) CYP2C9CYP2C19CYP3A4CSF1RCYP2D6
SCHEMBL1886524 0.88 CYP2C9 (1.00) CYP2C9CYP2C19CYP3A4CSF1R
SCHEMBL1891270 0.88 CYP2C9 (0.81) CYP2C9CYP2C19CYP3A4CSF1RCYP2D6
SCHEMBL1883363 0.88 CYP2C9 (1.00) CYP2C9CYP2C19CYP3A4CSF1RCYP2D6
SCHEMBL12674841 0.86 CYP2C9 (0.60) CYP2C9CYP2C19CYP3A4CSF1RCYP2D6
SCHEMBL1884264 0.84 CYP3A4 (1.00) CYP2C9CYP2C19CYP3A4CSF1RCYP1A2
SCHEMBL1882678 0.84 CYP3A4 (0.64) CYP2C9CYP2C19CYP3A4CSF1RCYP2D6
SCHEMBL1886350 0.83 CYP3A4 (0.83) CYP2C9CYP2C19CYP3A4CSF1RCYP1A2
SCHEMBL1882746 0.83 CYP3A4 (0.88) CYP2C9CYP2C19CYP3A4CSF1R
SCHEMBL30368964 0.83 CYP2C9 (0.72) CYP2C9CYP2C19CYP3A4CSF1RCYP2D6

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 17 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-9358235-B2 Kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-06-07 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
US-20140037617-A1 KINASE MODULATION, AND INDICATIONS THEREFOR DAIICHI SANKYO, INC. 2014-02-06 US disclosed
WO-2013142427-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2013-09-26 WO disclosed
EP-2496086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-12 EP disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 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 (6 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-20140037617-A1 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.