SCHEMBL6451271

SCHEMBL6451271

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.61
NR1H3 Q13133 1/20 0.61
DCUN1D1 Q96GG9 1/20 0.57
ADORA2A P29274 6/20 0.57
ADORA1 P30542 5/20 0.57
AURKA O14965 1/20 0.51
DYRK1A Q13627 2/20 0.50
CLK4 Q9HAZ1 1/20 0.50
GRK6 P43250 1/20 0.46
CYP19A1 P11511 1/20 0.45
GAA P10253 1/20 0.43
NPY5R Q15761 1/20 0.42
PIN1 Q13526 1/20 0.42
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
TOP1 P11387 1/20 0.41

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
SCHEMBL7152896 0.87 NR1H2 (0.60) NR1H2NR1H3DCUN1D1ADORA2AADORA1
SCHEMBL6448731 0.84 NR1H2 (0.56) NR1H2NR1H3DCUN1D1ADORA2AADORA1
SCHEMBL6451501 0.82 SMN1; SMN2 (0.57) NR1H2NR1H3DCUN1D1GAA
SCHEMBL6456324 0.81 GAA (0.50) NR1H2NR1H3GRK6CYP19A1GAA
SCHEMBL17279794 0.80 NR1H2 (0.86) NR1H2NR1H3DCUN1D1ADORA2AADORA1
SCHEMBL6448919 0.80 GRK6 (0.47) NR1H2NR1H3ADORA2AADORA1AURKA
SCHEMBL6454610 0.80 GAA (0.51) NR1H2NR1H3GRK6CYP19A1GAA
SCHEMBL6450315 0.80 NR1H2 (0.67) NR1H2NR1H3DCUN1D1ADORA2AADORA1
SCHEMBL10094648 0.80 DYRK1A (0.62) ADORA2AAURKADYRK1ACLK4CYP19A1
SCHEMBL6449961 0.79 NPC1 (0.66) DYRK1ACLK4

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.