SCHEMBL6448741

SCHEMBL6448741

Oc1ccc(O)c(-c2nc(-c3cnccn3)n[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 4/20 0.43
ADORA2A P29274 2/20 0.42
GUSB P08236 2/20 0.40
AMY1A P0DUB6 1/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 2/20 0.39
ALPL P05186 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LIMK1 P53667 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6453065 0.90 GRK6 (0.46) GRK6ADORA2ANPC1SMN1; SMN2L3MBTL1
SCHEMBL6449080 0.87 GRK6 (0.46) GRK6ADORA2ANPC1SMN1; SMN2L3MBTL1
SCHEMBL6448693 0.87 IDO1 (0.45) ADORA2ANPC1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL6448721 0.87 IDO1 (0.47) ADORA2ANPC1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL6449765 0.84 ADORA2A (0.38) GRK6ADORA2ANPC1SMN1; SMN2L3MBTL1
SCHEMBL6451421 0.84 GRK6 (0.48) GRK6ADORA2AGUSBNPC1SMN1; SMN2
SCHEMBL6452609 0.84 ADORA2A (0.58) ADORA2ANPC1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL6449943 0.83 SMN1; SMN2 (0.61) GRK6ADORA2AGUSBAMY1ANPC1
SCHEMBL6449979 0.82 GRK6 (0.51) GRK6ADORA2ANPC1SMN1; SMN2L3MBTL1
SCHEMBL6450064 0.80 GRK6 (0.47) GRK6NPC1SMN1; SMN2RAB9ALIMK1

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

“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.