SCHEMBL1887574

SCHEMBL1887574

COc1ncc(F)cc1CNc1ccc(Cc2cn(S(=O)(=O)c3ccccc3)c3ncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)cc23)c(F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
MET P08581 5/20 0.40
KDR P35968 3/20 0.39
FLT3 P36888 3/20 0.39
CSF1R P07333 1/20 0.39
KIT P10721 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
AURKC Q9UQB9 1/20 0.39
TTK P33981 2/20 0.39
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR4 P22455 2/20 0.37
FGFR3 P22607 2/20 0.37
TNK2 Q07912 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
LIPC P11150 1/20 0.36
HTR6 P50406 1/20 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
SCHEMBL15474217 0.91 MET (0.40) CYP3A4METKDRFLT3TTK
SCHEMBL1880953 0.84 CYP3A4 (0.58) CYP3A4METKDRFLT3CSF1R
SCHEMBL12675788 0.83 CYP3A4 (0.40) CYP3A4KDRFLT3CSF1RKIT
SCHEMBL1884462 0.79 CYP3A4 (0.50) CYP3A4KDRFLT3CSF1RKIT
SCHEMBL16268256 0.77 MET (0.52) CYP3A4METKDRFLT3TTK
SCHEMBL16267900 0.75 MET (0.48) CYP3A4METKDRFLT3TTK
SCHEMBL15778733 0.73 MET (0.47) METKDRFLT3TTKFGFR1
SCHEMBL1881699 0.73 CYP3A4 (0.66) CYP3A4METKDRFLT3CSF1R
SCHEMBL15805360 0.71 SIK1 (0.47) CYP3A4METKDRFLT3CYP2C9
SCHEMBL16023227 0.71 MET (0.44) CYP3A4METKDRFLT3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US 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 CYP3A4 3717/4885MET 146/4885KDR 198/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP3A4 3717/4885MET 146/4885KDR 198/4885

“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.