SCHEMBL3779449

SCHEMBL3779449

O=C(Nc1ccccn1)c1cn2cc(Br)ccc2n1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.57
CYP2C9 P11712 1/20 0.55
SORT1 Q99523 1/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MITF O75030 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAP3K5 Q99683 1/20 0.48
GRM5 P41594 1/20 0.48

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
SCHEMBL3773915 0.86 NR4A2 (0.58) NR4A2CYP2C9NPC1RAB9AKDM4E
SCHEMBL3773383 0.86 NR4A2 (0.58) NR4A2CYP2C9NPC1RAB9AKDM4E
SCHEMBL1734081 0.85 NR4A2 (0.57) NR4A2CYP2C9NPC1RAB9AKDM4E
SCHEMBL3777392 0.83 NR4A2 (0.55) NR4A2CYP2C9NPC1RAB9AKDM4E
SCHEMBL1732978 0.83 NR4A2 (0.80) NR4A2CYP2C9GRM5
SCHEMBL1733042 0.82 NR4A2 (0.54) NR4A2CYP2C9NPC1RAB9AKDM4E
SCHEMBL3369722 0.82 RAB9A (0.68) NR4A2CYP2C9NPC1RAB9AKDM4E
SCHEMBL1733793 0.79 NR4A2 (0.62) NR4A2CYP2C9NPC1RAB9AKDM4E
SCHEMBL1733358 0.78 NR4A2 (0.58) NR4A2CYP2C9NPC1RAB9AKDM4E
SCHEMBL1733565 0.78 NR4A2 (0.58) NR4A2CYP2C9NPC1RAB9AKDM4E

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-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-12-16 US claimed
US-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-12-16 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-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION IDH2, GLS, IDH1 NR4A2 1193/4885CYP2C9 1454/4885SORT1 4733/4885

“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.