SCHEMBL6452049

SCHEMBL6452049

COc1ccc(-c2nc(-c3ncccn3)n[nH]2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.56
GRK6 P43250 2/20 0.52
NOTUM Q6P988 1/20 0.49
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
NPC1 O15118 4/20 0.47
CYP19A1 P11511 1/20 0.46
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
ADORA2A P29274 2/20 0.43

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
SCHEMBL6451506 0.91 CYP19A1 (0.54) IDH1GRK6NOTUMMGAMGAA
SCHEMBL6450451 0.87 NPC1 (0.56) IDH1GRK6NOTUMNPC1MEN1
SCHEMBL6456324 0.85 GAA (0.50) IDH1GRK6NOTUMMGAMGAA
SCHEMBL6450529 0.84 GRK6 (0.46) IDH1GRK6NOTUMMGAMGAA
SCHEMBL6454364 0.82 MAPT (0.51) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL6449893 0.81 MAPT (0.43) IDH1GRK6NOTUMMGAMGAA
SCHEMBL6450064 0.81 GRK6 (0.47) IDH1GRK6NOTUMMGAMGAA
SCHEMBL6461158 0.81 GRK6 (0.45) IDH1GRK6NOTUMMGAMGAA
SCHEMBL6449669 0.80 MGAM (0.49) IDH1GRK6NOTUMMGAMGAA
SCHEMBL6448635 0.79 SMN1; SMN2 (0.55) GRK6MGAMGAASIMGAM2

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 IDH1 89/4885GRK6 2654/4885NOTUM 1107/4885

“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.