SCHEMBL6456566

SCHEMBL6456566

FC(F)(F)c1ccncc1-c1n[nH]c(-c2ccccc2Br)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.53
NR1H3 Q13133 2/20 0.53
DCUN1D1 Q96GG9 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
HSD11B1 P28845 1/20 0.39
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
NPY5R Q15761 1/20 0.38
MAPK13 O15264 1/20 0.36
GCGR P47871 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
KDR P35968 1/20 0.36
CYP1A2 P05177 3/20 0.35

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
SCHEMBL6450108 0.86 DCUN1D1 (0.46) NR1H2NR1H3DCUN1D1SMN1; SMN2NPC1
SCHEMBL6448860 0.85 SMN1; SMN2 (0.53) NR1H2NR1H3DCUN1D1SMN1; SMN2HSD11B1
SCHEMBL6454714 0.85 ADORA2A (0.53) NR1H2NR1H3DCUN1D1SMN1; SMN2NPC1
SCHEMBL6449864 0.84 CYP1A2 (0.39) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL6453811 0.81 NR1H2 (0.49) NR1H2NR1H3SMN1; SMN2NPC1RAB9A
SCHEMBL3199930 0.80 L3MBTL1 (0.58) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL6452381 0.80 SMN1; SMN2 (0.52) NR1H2NR1H3DCUN1D1SMN1; SMN2NPC1
SCHEMBL6461011 0.79 GRK6 (0.42) SMN1; SMN2TP53MEN1KMT2AHPGD
SCHEMBL6454617 0.79 JAK2 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1SLC22A12
SCHEMBL6453583 0.78 JAK2 (0.58) NR1H2NR1H3SMN1; SMN2NPC1TP53

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC NR1H2 34/4885NR1H3 24/4885DCUN1D1 3978/4885

“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.