SCHEMBL6448860

SCHEMBL6448860

FC(F)(F)c1ccncc1-c1n[nH]c(-c2ccccc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NR1H2 P55055 2/20 0.53
NR1H3 Q13133 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
ALPL P05186 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
DCUN1D1 Q96GG9 1/20 0.45
JAK2 O60674 1/20 0.42
TRPA1 O75762 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
GPBAR1 Q8TDU6 3/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL6453583 0.88 JAK2 (0.58) SMN1; SMN2NR1H2NR1H3NPC1RAB9A
SCHEMBL6450108 0.86 DCUN1D1 (0.46) SMN1; SMN2NR1H2NR1H3NPC1RAB9A
SCHEMBL6454714 0.85 ADORA2A (0.53) SMN1; SMN2NR1H2NR1H3NPC1RAB9A
SCHEMBL6456566 0.85 NR1H2 (0.53) SMN1; SMN2NR1H2NR1H3NPC1RAB9A
SCHEMBL9831523 0.84 NR1H2 (0.57) SMN1; SMN2NR1H2NR1H3NPC1RAB9A
SCHEMBL6449864 0.84 CYP1A2 (0.39) SMN1; SMN2TP53CYP1A2CYP3A4CYP2D6
SCHEMBL6453951 0.83 JAK2 (0.50) SMN1; SMN2NR1H2NR1H3NPC1RAB9A
SCHEMBL3199930 0.80 L3MBTL1 (0.58) SMN1; SMN2NPC1RAB9AALPLALDH1A1
SCHEMBL6453630 0.79 IDO1 (0.41) NPC1RAB9AHPGDALDH1A1L3MBTL1
SCHEMBL6454617 0.79 JAK2 (0.40) SMN1; SMN2NPC1RAB9AJAK2TRPA1

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 SMN1; SMN2 4633/4885NR1H2 34/4885NR1H3 24/4885

“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.