SCHEMBL462790

SCHEMBL462790

CC1CN=C(c2ccc(-c3cc(OCc4cnc(C(N)=O)cn4)cc(OC(C)CO)c3)[nH]2)O1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.36
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
ABL1 P00519 2/20 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
SCHEMBL421374 0.81 GCK (0.34) GCKBACE1BACE2
SCHEMBL425093 0.81 GCK (0.42) GCKABL1
SCHEMBL426243 0.80 GCK (0.41) GCKABL1
SCHEMBL462791 0.80 GCK (0.38) GCKBACE1BACE2ABL1
SCHEMBL423489 0.78 GCK (0.40) GCKBACE1BACE2
SCHEMBL423373 0.77 GCK (0.44) GCK
SCHEMBL424679 0.77 GCK (0.40) GCK
SCHEMBL424292 0.76 GCK (0.43) GCKABL1
SCHEMBL425098 0.76 GCK (0.40) GCK
SCHEMBL420620 0.76 GCK (0.52) GCKABL1

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-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 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 (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-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 GCK 2/4885BACE1 3813/4885BACE2 4223/4885

“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.