SCHEMBL6456324

SCHEMBL6456324

COc1ccc(-c2nc(-c3ncccc3C)n[nH]2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
MGAM O43451 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
GRK6 P43250 1/20 0.47
IDH1 O75874 1/20 0.45
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
NOTUM Q6P988 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 3/20 0.41
MAPT P10636 5/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX12 P18054 4/20 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
SCHEMBL6454610 0.92 GAA (0.51) GAAMGAMSIMGAM2GRK6
SCHEMBL6450529 0.87 GRK6 (0.46) GAAMGAMSIMGAM2GRK6
SCHEMBL6452129 0.86 MAPT (0.45) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL6452049 0.85 IDH1 (0.56) GAAMGAMSIMGAM2GRK6
SCHEMBL6448919 0.85 GRK6 (0.47) GAAMGAMSIMGAM2GRK6
SCHEMBL6449893 0.84 MAPT (0.43) GAAMGAMSIMGAM2GRK6
SCHEMBL6450012 0.83 ADORA2A (0.57) GAAMGAMSIMGAM2KDM4E
SCHEMBL6452590 0.82 GAA (0.47) GAAMGAMSIMGAM2GRK6
SCHEMBL6461158 0.82 GRK6 (0.45) GAAMGAMSIMGAM2GRK6
SCHEMBL6451271 0.81 NR1H2 (0.61) GAAGRK6NR1H2NR1H3CYP19A1

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 GAA 519/4885MGAM 4379/4885SI 2977/4885

“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.