SCHEMBL4281906

SCHEMBL4281906

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 15/20 0.42
KCNA5 P22460 1/20 0.41
AXL P30530 12/20 0.41
MET P08581 1/20 0.41
TYRO3 Q06418 1/20 0.41
FKBP1A P62942 1/20 0.38
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
ADORA2A P29274 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL4292612 1.00 MERTK (0.42) MERTKKCNA5AXLMETTYRO3
SCHEMBL13705061 0.98 MERTK (0.44) MERTKKCNA5AXLMETTYRO3
SCHEMBL4286364 0.98 MERTK (0.44) MERTKKCNA5AXLMETTYRO3
SCHEMBL4286316 0.89 MERTK (0.41) MERTKAXLMETTYRO3ADORA2A
SCHEMBL4294098 0.89 MERTK (0.41) MERTKAXLMETTYRO3ADORA2A
SCHEMBL4292600 0.87 MERTK (0.43) MERTKAXLMETTYRO3
SCHEMBL13705071 0.87 MERTK (0.43) MERTKAXLMETTYRO3
SCHEMBL4281743 0.81 ALDH1A1 (0.38)
SCHEMBL4281742 0.81 ALDH1A1 (0.38)
SCHEMBL13705062 0.81 ALDH1A1 (0.38)

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 4 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
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 1451/4885KCNA5 867/4885AXL 1873/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MERTK 1451/4885KCNA5 867/4885AXL 1873/4885

“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.