SCHEMBL190861

SCHEMBL190861

COC(=O)CCSc1cnc(Nc2nc(C)cs2)cc1Oc1cccc2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.40
CACNA2D1 P54289 1/20 0.39
BRAF P15056 1/20 0.37
BRD4 O60885 1/20 0.36
HPGD P15428 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL190808 0.89 NPC1 (0.40) NPC1RAB9A
SCHEMBL190667 0.83 SMN1; SMN2 (0.43) GCKNPC1RAB9APOLB
SCHEMBL190721 0.81 GCK (0.49) GCKCACNA2D1BRAF
SCHEMBL2461010 0.81 GCK (0.43) GCKCACNA2D1HPGD
SCHEMBL12305702 0.80 CACNA2D1 (0.38) GCKCACNA2D1BRAF
SCHEMBL190731 0.79 GCK (0.45) GCKCACNA2D1BRAFHPGD
Hydrochloric Acid SCHEMBL190355 0.79 CACNA2D1 (0.37) GCKCACNA2D1BRAF
SCHEMBL191338 0.78 BRAF (0.37) GCKCACNA2D1BRAFHPGDMAPK8
SCHEMBL225130 0.78 GCK (0.41) GCK
SCHEMBL190674 0.78 TRPV4 (0.41) GCKHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 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-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 GCK 2/4885CACNA2D1 4209/4885BRAF 2352/4885

“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.