SCHEMBL6454404

SCHEMBL6454404

FC(F)(F)c1cccnc1-c1n[nH]c(-c2cccc3ccccc23)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
ADRA1A P35348 1/20 0.37
BCHE P06276 1/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 2/20 0.37
ALPL P05186 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD11B1 P28845 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.36
TRPV1 Q8NER1 5/20 0.36
CNR2 P34972 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
SCHEMBL6450021 0.84 ADORA2A (0.53) KDRADRA1AHSD17B10NPC1ALPL
SCHEMBL6449942 0.82 MEN1 (0.40) KDM4EHSD17B10NPC1ALPLRAB9A
SCHEMBL6450074 0.81 KDM4E (0.47) KDM4ECYP1A2CYP3A4CYP2C19BCHE
SCHEMBL6449769 0.81 NR1H2 (0.49) KDM4ECYP1A2CYP3A4CYP2C19BCHE
SCHEMBL6450871 0.80 BCHE (0.46) KDM4ECYP1A2CYP3A4CYP2C19BCHE
SCHEMBL6454344 0.79 MAPT (0.59) KDM4EBCHEHSD17B10NPC1RAB9A
SCHEMBL6448545 0.79 JAK2 (0.53) KDRCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL6449864 0.78 CYP1A2 (0.39) KDRKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL6448396 0.78 KDM4E (0.41) KDRKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL6451042 0.76 GRK6 (0.40) KDRTRPV1CNR2GAAMAPT

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 KDR 3710/4885KDM4E 3106/4885CYP1A2 47/4885

“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.