SCHEMBL6449802

SCHEMBL6449802

Oc1ccc(O)c(-c2nc(-c3nccc4ccccc34)n[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.43
ADORA2A P29274 1/20 0.43
GRK6 P43250 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.38
AMY1A P0DUB6 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
F2 P00734 1/20 0.35
ITK Q08881 1/20 0.35
NPY5R Q15761 1/20 0.35

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
SCHEMBL6450301 0.91 GRK6 (0.43) ADORA2AGRK6DCUN1D1NPC1RAB9A
SCHEMBL6451195 0.88 ADORA2A (0.41) ADORA2ADCUN1D1NPC1RAB9AL3MBTL1
SCHEMBL6450144 0.88 IDO1 (0.44) ADORA2ADCUN1D1KDM4EMAPTKMT2A
SCHEMBL6457130 0.88 GRK6 (0.43) ADORA2AGRK6DCUN1D1NPC1RAB9A
SCHEMBL6459671 0.87 ADORA2A (0.57) GUSBADORA2ADCUN1D1NPC1RAB9A
SCHEMBL6451504 0.85 ADORA2A (0.39) ADORA2ADCUN1D1NPC1RAB9AL3MBTL1
SCHEMBL6450636 0.85 GUSB (0.48) GUSBADORA2AGRK6NPC1RAB9A
SCHEMBL6449907 0.83 GRK6 (0.48) ADORA2AGRK6NPC1RAB9AKDM4E
SCHEMBL6450544 0.82 NPC1 (0.40) ADORA2ANPC1RAB9AL3MBTL1KDM4E
SCHEMBL6461158 0.81 GRK6 (0.45) GUSBADORA2AGRK6NPC1RAB9A

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 GUSB 703/4885ADORA2A 1442/4885GRK6 2654/4885

“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.