SCHEMBL2198672

SCHEMBL2198672

NC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3ncnc4c3cnn4C3CCCCO3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
MERTK Q12866 2/20 0.36
MET P08581 2/20 0.35
AXL P30530 2/20 0.35
FLT3 P36888 4/20 0.35
CSF1R P07333 2/20 0.34
TRPA1 O75762 1/20 0.33
DRD1 P21728 1/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
ABL1 P00519 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL1789418 0.85 CYP2C19 (0.41) MERTKMETAXLKDRHPGD
SCHEMBL2198668 0.83 MERTK (0.53) MERTKMETAXLFLT3DRD1
SCHEMBL2200593 0.77 CYP3A4 (0.42) CYP3A4FLT3CSF1RDRD1ABL1
SCHEMBL1791793 0.77 FLT3 (0.60) FLT3KDR
SCHEMBL28514715 0.76 CSF1R (0.41) MERTKMETAXLFLT3CSF1R
SCHEMBL1791378 0.72 TRPA1 (0.40) MERTKMETAXLFLT3CSF1R
SCHEMBL1128399 0.72 CYP3A4 (0.59) CYP3A4FLT3DRD1HPGDSMN1; SMN2
SCHEMBL409724 0.71 MET (0.55) MERTKMETAXLFLT3CSF1R
SCHEMBL28509383 0.70 CSF1R (0.37) MERTKMETAXLFLT3CSF1R
SCHEMBL1789417 0.69 MERTK (0.47) MERTKMETAXLKDRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP claimed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US claimed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 EP disclosed
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP disclosed
EP-2139483-B1 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-09-18 EP disclosed
US-7977345-B2 c-MET modulators and method of use EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US disclosed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 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-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS CYP3A4 2369/4885MERTK 1576/4885MET 312/4885
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, KDR CYP3A4 2050/4885MERTK 14/4885MET 2/4885

“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.