SCHEMBL3596965

SCHEMBL3596965

NC(=S)Nc1ncc(Br)cc1Oc1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
KCNH2 Q12809 1/20 0.37
GCK P35557 2/20 0.36
P2RY1 P47900 1/20 0.36
NOTUM Q6P988 1/20 0.35
MAPK8 P45983 2/20 0.35
MAPK10 P53779 2/20 0.35
MAOA P21397 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
ERBB3 P21860 1/20 0.34
ERBB4 Q15303 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
STK39 Q9UEW8 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
PIN1 Q13526 1/20 0.33

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
SCHEMBL1327994 0.80 GCK (0.54) NPC1KCNH2GCKNPSR1L3MBTL1
SCHEMBL3603243 0.80 ICAM1 (0.42) GCKL3MBTL1ALDH1A1THRB
SCHEMBL1328342 0.78 GCK (0.41) NPC1KCNH2GCKMAOAALDH1A1
SCHEMBL2656077 0.78 MAPT (0.47) NPC1KCNH2GCKL3MBTL1ALDH1A1
SCHEMBL2657373 0.77 MAOA (0.40) P2RY1MAPK8MAPK10MAOAEGFR
SCHEMBL2334248 0.73 GCK (0.56) NPC1KCNH2GCKALDH1A1
SCHEMBL2656909 0.72 SMN1; SMN2 (0.47) GCKALDH1A1
SCHEMBL1330388 0.71 ICAM1 (0.42) KCNH2GCKALDH1A1SLC22A12
SCHEMBL10506895 0.70 MRGPRX1 (0.41) P2RY1NOTUMMAOAL3MBTL1THRA
SCHEMBL2317274 0.68 MAPT (0.55) NPC1KCNH2NPSR1L3MBTL1ALDH1A1

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-8362037-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-01-29 US disclosed
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPPHARMA INC. (US) 2010-04-29 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-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 NPC1 3879/4885KCNH2 982/4885GCK 1/4885

“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.