SCHEMBL6715157

SCHEMBL6715157

Cc1ccnc(NCc2ccc(Br)cc2F)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPD P32754 2/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 2/20 0.37
BDKRB1 P46663 1/20 0.36
NTRK1 P04629 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
MAPT P10636 4/20 0.34
MAPK1 P28482 3/20 0.34
PRKCQ Q04759 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
AKR1B1 P15121 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
SCHEMBL19539408 0.78 P2RX7 (0.41) P2RX7MEN1KMT2AHPDALDH1A1
SCHEMBL21076591 0.77 POLB (0.37) P2RX7MEN1KMT2AHPDALDH1A1
SCHEMBL19539409 0.76 TLR7 (0.43) P2RX7MEN1KMT2AHPDALDH1A1
SCHEMBL9680964 0.73 MAPT (0.42) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL25374364 0.69 EGFR (0.41) MEN1KMT2AALDH1A1HTTNPC1
SCHEMBL30401360 0.69 EGFR (0.41) MEN1KMT2AALDH1A1HTTNPC1
SCHEMBL18226430 0.68 ALDH1A1 (0.47) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL7851767 0.68 BDKRB1 (0.45) MEN1KMT2AALDH1A1HTTNPC1
SCHEMBL253175 0.68 L3MBTL1 (0.44) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL9682000 0.68 MAPT (0.51) MEN1KMT2AALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063761-A1 2-(biarylalkyl)amino-3-(fluoroalkanoylamino)pyridine derivatives KUDUK SCOTT D (US) 2004-04-01 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-20040063761-A1 2-(biarylalkyl)amino-3-(fluoroalkanoylamino)pyridine derivatives BDKRB1, BDKRB2, LTB4R2 P2RX7 131/4885MEN1 3316/4885KMT2A 3694/4885

“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.