SCHEMBL4543544

SCHEMBL4543544

COCCNC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.COc1ccccc1CNC(=O)c1csc(CNC(=O)C/C=C/c2ccccc2)n1.Cc1ccccc1CNC(=O)c1coc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCCCN2CCCC2=O)cs1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCc2ccncc2)cs1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 4/20 0.34
MET P08581 2/20 0.34
SELP P16109 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
RCE1 Q9Y256 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL4543547 0.82 CYP1A2 (0.32) CYP1A2CYP2C19MAPTCYP3A4CYP2C9
SCHEMBL4390910 0.71 MAPT (0.61) CYP1A2CYP2C19MAPTCYP3A4CYP2C9
SCHEMBL2171264 0.71 NPC1 (0.55) CYP1A2CYP2C19MAPTCYP3A4CYP2C9
SCHEMBL5670554 0.68 MAPT (0.59) CYP1A2CYP2C19MAPTCYP3A4CYP2C9
SCHEMBL2220055 0.67 MAPT (0.36) CYP1A2CYP2C19MAPTCYP3A4CYP2C9
SCHEMBL2175901 0.67 SCN2A (0.47) CYP1A2CYP2C19MAPTCYP3A4CYP2C9
SCHEMBL4563131 0.66 MAPT (0.40) CYP1A2CYP2C19MAPTCYP3A4CYP2C9
SCHEMBL2176692 0.66 MAPT (0.52) CYP1A2CYP2C19MAPTCYP3A4CYP2C9
SCHEMBL2173835 0.66 NPC1 (0.46) MAPTCACNA1GCACNA1HCACNA1IALDH1A1
SCHEMBL4543938 0.66 MAPT (0.41) CYP1A2CYP2C19MAPTCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 TYRO3 247/4885MET 148/4885SELP 2483/4885

“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.