SCHEMBL190750

SCHEMBL190750

CCOC(=O)c1ccc(Cl)c(Oc2cc(N)ncc2Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HSD17B2 P37059 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 3/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL191140 0.83 RAB9A (0.44) ALDH1A1HSD17B2KDM4ECYP1A2RAB9A
SCHEMBL1329100 0.82 ALDH1A1 (0.42) ALDH1A1HSD17B2KDM4ECYP1A2LMNA
SCHEMBL973630 0.82 ALDH1A1 (0.42) ALDH1A1HSD17B2KDM4ECYP1A2LMNA
SCHEMBL190839 0.80 HSD17B2 (0.46) ALDH1A1HSD17B2KDM4ECYP1A2LMNA
SCHEMBL1330161 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B2KDM4ECYP1A2LMNA
SCHEMBL190965 0.76 RAB9A (0.45) ALDH1A1KDM4ECYP1A2LMNACYP3A4
SCHEMBL1748566 0.75 HSD17B2 (0.56) ALDH1A1HSD17B2KDM4ECYP1A2LMNA
SCHEMBL30375337 0.73 CA12 (0.56) ALDH1A1HSD17B2KDM4ECYP1A2LMNA
SCHEMBL3030169 0.73 CA12 (0.56) ALDH1A1HSD17B2KDM4ECYP1A2LMNA
SCHEMBL191196 0.72 ALDH1A1 (0.46) ALDH1A1HSD17B2KDM4ECYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431713-B2 2-aminopyridine derivatives as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-04-30 US disclosed
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-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-04-22 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-2008091770-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2008-07-31 WO 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 (2 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 ALDH1A1 1869/4885HSD17B2 1686/4885KDM4E 2939/4885
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 ALDH1A1 820/4885HSD17B2 3081/4885KDM4E 2831/4885

“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.