SCHEMBL6453583

SCHEMBL6453583

FC(F)(F)c1ccncc1-c1n[nH]c(-c2c(Cl)cccc2Cl)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.58
TRPA1 O75762 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALPL P05186 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDR P35968 1/20 0.34

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
SCHEMBL6453951 0.93 JAK2 (0.50) JAK2TRPA1TRPM8TRPV1SMN1; SMN2
SCHEMBL6448860 0.88 SMN1; SMN2 (0.53) JAK2TRPA1TRPM8TRPV1SMN1; SMN2
SCHEMBL6454617 0.86 JAK2 (0.40) JAK2TRPA1SMN1; SMN2NPC1RAB9A
SCHEMBL6449864 0.79 CYP1A2 (0.39) TRPA1SMN1; SMN2TP53CYP1A2CYP3A4
SCHEMBL6450108 0.79 DCUN1D1 (0.46) TRPA1SMN1; SMN2NPC1TP53CYP1A2
SCHEMBL6451601 0.78 DHODH (0.39) JAK2SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL3199930 0.78 L3MBTL1 (0.58) SMN1; SMN2NPC1ALPLRAB9AALDH1A1
SCHEMBL6456566 0.78 NR1H2 (0.53) TRPA1TRPM8SMN1; SMN2NPC1TP53
SCHEMBL6454714 0.78 ADORA2A (0.53) SMN1; SMN2NPC1TP53CYP1A2ALPL
SCHEMBL6452381 0.77 SMN1; SMN2 (0.52) SMN1; SMN2NPC1HPGDRAB9ANR1H2

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 JAK2 524/4885TRPA1 2950/4885TRPM8 2533/4885

“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.