SCHEMBL6448731

SCHEMBL6448731

COc1cccc(-c2nc(-c3ncccc3C(F)(F)F)n[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.56
NR1H3 Q13133 1/20 0.56
DCUN1D1 Q96GG9 1/20 0.53
ADORA2A P29274 5/20 0.53
ADORA1 P30542 4/20 0.53
AURKA O14965 1/20 0.47
DYRK1A Q13627 2/20 0.46
CLK4 Q9HAZ1 1/20 0.46
GRK6 P43250 1/20 0.43
CYP19A1 P11511 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
SYK P43405 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
CLK2 P49760 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
SCHEMBL6451271 0.84 NR1H2 (0.61) NR1H2NR1H3DCUN1D1ADORA2AADORA1
SCHEMBL6454148 0.83 SMN1; SMN2 (0.53) NR1H2NR1H3DCUN1D1SYKTRPV1
SCHEMBL7152896 0.83 NR1H2 (0.60) NR1H2NR1H3DCUN1D1ADORA2AADORA1
SCHEMBL6449893 0.83 MAPT (0.43) NR1H2NR1H3GRK6TRPV1
SCHEMBL6450017 0.82 GRK6 (0.44) NR1H2NR1H3GRK6CYP19A1
SCHEMBL6454806 0.81 NPC1 (0.61) DYRK1ACLK4
SCHEMBL6452075 0.79 NR1H2 (0.55) NR1H2NR1H3DCUN1D1ADORA2AADORA1
SCHEMBL6451202 0.78 MAPT (0.53) GRK6PDE4APDE4BPDE4CPDE4D
SCHEMBL6448397 0.77 TRPV1 (0.42) NR1H2NR1H3TRPV1
SCHEMBL17279794 0.76 NR1H2 (0.86) NR1H2NR1H3DCUN1D1ADORA2AADORA1

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.