SCHEMBL6449765

SCHEMBL6449765

CC(C)(C)c1ccc(O)c(-c2nc(-c3cnccn3)n[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NR2F2 P24468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
PKM P14618 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALPL P05186 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 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
SCHEMBL6450815 0.85 SMN1; SMN2 (0.55) ADORA2ANPC1RAB9AMEN1KMT2A
SCHEMBL6449080 0.84 GRK6 (0.46) ADORA2ANPC1RAB9AMEN1KMT2A
SCHEMBL6448741 0.84 GRK6 (0.43) ADORA2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6448721 0.82 IDO1 (0.47) ADORA2ANPC1RAB9AMEN1KMT2A
SCHEMBL6453065 0.82 GRK6 (0.46) ADORA2ANPC1RAB9AMEN1KMT2A
SCHEMBL6448693 0.82 IDO1 (0.45) ADORA2ANPC1RAB9AMEN1KMT2A
SCHEMBL6450502 0.82 ADORA2A (0.43) ADORA2ANPC1RAB9AMEN1KMT2A
SCHEMBL6451421 0.81 GRK6 (0.48) ADORA2ANPC1RAB9AMEN1KMT2A
SCHEMBL6451397 0.81 TDP1 (0.36) ADORA2ANPC1RAB9AMEN1KMT2A
SCHEMBL6450827 0.81 NPSR1 (0.38) ADORA2ANPC1RAB9AMEN1KMT2A

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 ADORA2A 1442/4885NPC1 59/4885RAB9A 2483/4885

“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.