SCHEMBL1885256

SCHEMBL1885256

COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(-c5cnn(C6CCNCC6)c5)cc34)c(F)n2)cn1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.68
CYP2C9 P11712 4/20 0.68
MET P08581 4/20 0.62
PAK1 Q13153 4/20 0.56
PAK4 O96013 1/20 0.56
CYP1A2 P05177 1/20 0.52
SIK1 P57059 1/20 0.50
SIK3 Q9Y2K2 1/20 0.50
KIT P10721 2/20 0.48
KDR P35968 2/20 0.48
FLT3 P36888 2/20 0.48
AURKC Q9UQB9 2/20 0.48
CSF1R P07333 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL1890308 0.90 MET (0.61) CYP3A4CYP2C9METPAK1PAK4
SCHEMBL1888295 0.89 MET (0.65) CYP3A4CYP2C9METPAK1PAK4
SCHEMBL1880563 0.88 CYP3A4 (0.64) CYP3A4CYP2C9METPAK1PAK4
SCHEMBL1885789 0.87 MET (0.68) CYP3A4CYP2C9METPAK1PAK4
SCHEMBL1881699 0.87 CYP3A4 (0.66) CYP3A4CYP2C9METPAK1PAK4
SCHEMBL1887824 0.85 CYP3A4 (0.65) CYP3A4CYP2C9METPAK1PAK4
SCHEMBL1884264 0.82 CYP3A4 (1.00) CYP3A4CYP2C9CYP1A2KITKDR
SCHEMBL30695620 0.81 CYP3A4 (0.64) CYP3A4CYP2C9METPAK1PAK4
SCHEMBL1894693 0.81 CYP3A4 (0.64) CYP3A4CYP2C9METPAK1PAK4
SCHEMBL1883905 0.80 CYP3A4 (1.00) CYP3A4CYP2C9CYP1A2KITKDR

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

“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.