SCHEMBL3603243

SCHEMBL3603243

NC(=S)Nc1ncc(Br)cc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 2/20 0.42
SELE P16581 2/20 0.42
KIF11 P52732 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GCK P35557 1/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDR P35968 2/20 0.38
THRB P10828 1/20 0.38
FLT3 P36888 1/20 0.38
CTSL P07711 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL1328342 0.86 GCK (0.41) ICAM1SELEGCKKDM4EKDR
SCHEMBL1327994 0.84 GCK (0.54) ICAM1SELESMN1; SMN2GCKMAPT
SCHEMBL1330388 0.81 ICAM1 (0.42) ICAM1SELEGCKKDM4EMAPT
SCHEMBL2656909 0.81 SMN1; SMN2 (0.47) SMN1; SMN2GCKKDM4EMAPTRAB9A
SCHEMBL3596965 0.80 NPC1 (0.37) GCKL3MBTL1THRBALDH1A1
SCHEMBL1329121 0.77 SLC6A4 (0.46) ICAM1SELESMN1; SMN2SLC6A4KDM4E
SCHEMBL2656077 0.71 MAPT (0.47) GCKMAPTRAB9AL3MBTL1ALDH1A1
SCHEMBL1330239 0.70 NPC1 (0.64) SMN1; SMN2KDM4EMAPTRAB9AALDH1A1
SCHEMBL1327838 0.70 NPC1 (0.71) SMN1; SMN2GCKKDM4EMAPTRAB9A
SCHEMBL2334248 0.69 GCK (0.56) GCKALDH1A1

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 ICAM1 4044/4885SELE 4620/4885KIF11 4186/4885

“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.