SCHEMBL4289088

SCHEMBL4289088

CC1(C)OCC(c2cnc(NC(=O)C(Br)CC3CCCC3)cn2)O1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.36
KCNH2 Q12809 2/20 0.34
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4289078 1.00 GCK (0.36) GCKKCNH2NPC1ALDH1A1RAB9A
SCHEMBL2199548 0.80 GCK (0.63) GCK
SCHEMBL2199553 0.80 GCK (0.63) GCK
SCHEMBL1445554 0.77 KCNH2 (0.66) GCKKCNH2
SCHEMBL2646066 0.77 KCNH2 (0.66) GCKKCNH2
SCHEMBL1445670 0.76 CNR2 (0.36) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1445671 0.76 CNR2 (0.36) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13585122 0.73 GCK (0.39) GCK
SCHEMBL13585126 0.73 GCK (0.39) GCK
SCHEMBL27948150 0.73 GCK (0.39) GCK

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-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 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-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK GCK 1/4885KCNH2 1074/4885NPC1 3631/4885

“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.