SCHEMBL190808

SCHEMBL190808

COC(=O)CCSc1cnc(Nc2nc(-c3ccccc3)cs2)cc1Oc1cccc2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.40
RAB9A P51151 13/20 0.40
KMT2A Q03164 11/20 0.40
MEN1 O00255 9/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
MAPT P10636 7/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
TDP1 Q9NUW8 3/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL190861 0.89 GCK (0.40) NPC1RAB9A
SCHEMBL192811 0.81 GCK (0.42) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL12305701 0.80 NPC1 (0.39) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL191010 0.80 NPC1 (0.48) NPC1RAB9AKMT2AMEN1CASP3
Hydrochloric Acid SCHEMBL191877 0.79 NPC1 (0.38) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL190963 0.79 GCK (0.40) MAPTKDM4E
SCHEMBL191338 0.76 BRAF (0.37) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2461010 0.72 GCK (0.43)
SCHEMBL190667 0.72 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL190721 0.72 GCK (0.49)

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
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
EP-1986645-A1 GLUCOKINASE ACTIVATORS Array Biopharma, Inc. (US) 2008-11-05 EP disclosed
WO-2007089512-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-08-09 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-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 NPC1 1862/4885RAB9A 1808/4885KMT2A 2715/4885

“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.