SCHEMBL4286364

SCHEMBL4286364

COC(=O)c1ncn([C@@H]2CCC[C@H]2OCc2ccccc2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 17/20 0.44
AXL P30530 13/20 0.43
MET P08581 1/20 0.43
TYRO3 Q06418 1/20 0.43
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KCNA5 P22460 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL13705061 1.00 MERTK (0.44) MERTKAXLMETTYRO3ADORA3
SCHEMBL4281906 0.98 MERTK (0.42) MERTKAXLMETTYRO3ADORA3
SCHEMBL4292612 0.98 MERTK (0.42) MERTKAXLMETTYRO3ADORA3
SCHEMBL13705071 0.89 MERTK (0.43) MERTKAXLMETTYRO3
SCHEMBL4292600 0.89 MERTK (0.43) MERTKAXLMETTYRO3
SCHEMBL4286316 0.87 MERTK (0.41) MERTKAXLMETTYRO3ADORA2A
SCHEMBL4294098 0.87 MERTK (0.41) MERTKAXLMETTYRO3ADORA2A
SCHEMBL4289724 0.82 ALDH1A1 (0.40)
SCHEMBL4289719 0.82 ALDH1A1 (0.40)
SCHEMBL13705060 0.82 ALDH1A1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MERTK 1451/4885AXL 1873/4885MET 408/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MERTK 1451/4885AXL 1873/4885MET 408/4885

“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.