SCHEMBL1891847

SCHEMBL1891847

COc1ncc(F)cc1CNc1nc(Cl)c(Cc2c[nH]c3ncccc23)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.54
CYP3A4 P08684 11/20 0.52
CYP2C19 P33261 2/20 0.52
KIT P10721 3/20 0.51
FLT3 P36888 3/20 0.51
KDR P35968 2/20 0.51
AURKC Q9UQB9 2/20 0.51
CSF1R P07333 2/20 0.51
FGFR1 P11362 1/20 0.45
FGFR4 P22455 1/20 0.45
GPR84 Q9NQS5 1/20 0.41
MET P08581 1/20 0.40
CYP1A2 P05177 1/20 0.37
CDC7 O00311 2/20 0.36
ROCK2 O75116 2/20 0.36
MAP4K4 O95819 2/20 0.36
PIM1 P11309 2/20 0.36
PRKACA P17612 2/20 0.36
CDK2 P24941 2/20 0.36
GSK3B P49841 2/20 0.36

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
SCHEMBL1881280 0.89 CYP3A4 (0.59) CYP2C9CYP3A4CYP2C19KITFLT3
SCHEMBL1889873 0.87 CYP3A4 (0.52) CYP2C9CYP3A4CYP2C19KITFLT3
SCHEMBL1268044 0.83 CYP3A4 (0.55) CYP2C9CYP3A4CYP2C19KITFLT3
SCHEMBL1885668 0.83 CYP3A4 (0.51) CYP2C9CYP3A4CYP2C19KITFLT3
SCHEMBL1267473 0.83 GPR84 (0.44) CYP2C9CYP3A4CYP2C19KITCSF1R
SCHEMBL1886804 0.82 CYP3A4 (0.68) CYP2C9CYP3A4CYP2C19KITFLT3
SCHEMBL1267146 0.82 GPR84 (0.47) CYP2C9CYP3A4CYP2C19KITFLT3
SCHEMBL15455827 0.81 CYP3A4 (0.44) CYP2C9CYP3A4CYP2C19KITFLT3
SCHEMBL1268368 0.81 FGFR1 (0.52) CYP2C9CYP3A4CYP2C19KITFLT3
SCHEMBL1883797 0.81 CYP2C9 (0.53) CYP2C9CYP3A4CYP2C19KITFLT3

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-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
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-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
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 (2 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-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP2C9 3884/4885CYP3A4 3717/4885CYP2C19 4018/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP2C9 3884/4885CYP3A4 3717/4885CYP2C19 4018/4885

“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.