SCHEMBL1834586

SCHEMBL1834586

O=C(Nc1ccn(Cc2ccccc2)n1)[C@H](CC1CCCC1)n1ccc(C(F)(F)F)cc1=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.53
LDHB P07195 1/20 0.45
F11 P03951 1/20 0.43
CACNA1G O43497 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42

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
SCHEMBL1929826 1.00 GCK (0.53) GCKLDHBF11CACNA1GCACNA1I
SCHEMBL1931581 0.89 GCK (0.53) GCKLDHBCACNA1GCACNA1I
SCHEMBL1931585 0.89 GCK (0.53) GCKLDHBCACNA1GCACNA1I
SCHEMBL1931067 0.88 GCK (0.57) GCK
SCHEMBL1931068 0.88 GCK (0.57) GCK
SCHEMBL1931382 0.86 GCK (0.55) GCK
SCHEMBL1931385 0.86 GCK (0.55) GCK
SCHEMBL1931004 0.84 GCK (0.69) GCK
SCHEMBL1931007 0.84 GCK (0.69) GCK
SCHEMBL1827485 0.79 GCK (0.65) GCKF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130365-A1 Fluorinated Heteroaryls BENBOW JOHN W 2011-06-02 US disclosed
US-20110130365-A1 Fluorinated Heteroaryls BENBOW JOHN W 2011-06-02 US disclosed
EP-2318370-A1 FLUORINATED HETEROARYLS Pfizer Inc. (US) 2011-05-11 EP disclosed
WO-2010013161-A1 FLUORINATED HETEROARYLS PFIZER INC. (US) 2010-02-04 WO disclosed
WO-2010013161-A1 FLUORINATED HETEROARYLS PFIZER INC. (US) 2010-02-04 WO 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-20110130365-A1 Fluorinated Heteroaryls GCKR, GALK1, GCK GCK 3/4885LDHB 2921/4885F11 640/4885

“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.