SCHEMBL3593503

SCHEMBL3593503

Cn1cc(Oc2cc(Br)cnc2C#N)ccc1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.34
CREBBP Q92793 5/20 0.34
SCN8A Q9UQD0 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
OPRK1 P41145 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
HAO1 Q9UJM8 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL3598739 0.81 BRD4 (0.36) BRD4CREBBPSCN8ASCN10ANPC1
SCHEMBL2661045 0.77 CHEK1 (0.37) CYP11B1CYP11B2
SCHEMBL15402990 0.75 CYP11B1 (0.43) BRD4CYP11B1CYP11B2
SCHEMBL1329646 0.75 SLC22A12 (0.40) ALDH1A1SMN1; SMN2CYP2C9CYP11B1CYP11B2
SCHEMBL21291534 0.72 GPR119 (0.33)
SCHEMBL31662431 0.69 MAOB (0.51) LMNAMAPTALDH1A1HTTRAB9A
SCHEMBL1629163 0.69 USP8 (0.38) HTTRAB9ASMN1; SMN2
SCHEMBL2659607 0.68 AR (0.32) LMNA
SCHEMBL2655729 0.67 SLC22A12 (0.42)
SCHEMBL2658113 0.67 S1PR4 (0.38) LMNAMAPTNPC1RAB9ASMN1; SMN2

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 BRD4 2278/4885CREBBP 787/4885SCN8A 1809/4885

“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.