SCHEMBL1885789

SCHEMBL1885789

Fc1cncc(CNc2ccc(Cc3c[nH]c4ncc(-c5cnn(C6CCNCC6)c5)cc34)c(F)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.68
CYP3A4 P08684 5/20 0.62
CYP2C9 P11712 3/20 0.62
PAK1 Q13153 8/20 0.60
PAK4 O96013 2/20 0.60
SIK1 P57059 1/20 0.48
SIK3 Q9Y2K2 1/20 0.48
ALK Q9UM73 1/20 0.47
CYP1A2 P05177 2/20 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
SCHEMBL1888295 0.89 MET (0.65) METCYP3A4CYP2C9PAK1PAK4
SCHEMBL1880563 0.88 CYP3A4 (0.64) METCYP3A4CYP2C9PAK1PAK4
SCHEMBL1885256 0.87 CYP3A4 (0.68) METCYP3A4CYP2C9PAK1PAK4
SCHEMBL1890308 0.87 MET (0.61) METCYP3A4CYP2C9PAK1PAK4
SCHEMBL1881699 0.86 CYP3A4 (0.66) METCYP3A4CYP2C9PAK1PAK4
SCHEMBL30695620 0.86 CYP3A4 (0.64) METCYP3A4CYP2C9PAK1PAK4
SCHEMBL1894693 0.86 CYP3A4 (0.64) METCYP3A4CYP2C9PAK1PAK4
SCHEMBL1887824 0.84 CYP3A4 (0.65) METCYP3A4CYP2C9PAK1PAK4
SCHEMBL1883091 0.81 CYP3A4 (0.85) CYP3A4CYP2C9CYP1A2
SCHEMBL14197564 0.78 CYP3A4 (0.79) CYP3A4CYP2C9CYP1A2

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 14 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
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-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
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 MET 60/4885CYP3A4 4236/4885CYP2C9 4286/4885
US-20140037617-A1 KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, FLT4, FLT1 MET 60/4885CYP3A4 4236/4885CYP2C9 4286/4885
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF MET 146/4885CYP3A4 3717/4885CYP2C9 3884/4885
US-20160243092-A1 KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, FLT4, FLT1 MET 60/4885CYP3A4 4236/4885CYP2C9 4286/4885
US-20180055828-A1 KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, FLT4, FLT1 MET 60/4885CYP3A4 4236/4885CYP2C9 4286/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF MET 146/4885CYP3A4 3717/4885CYP2C9 3884/4885

“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.