SCHEMBL6461045

SCHEMBL6461045

Oc1ccc(F)cc1-c1nc(-c2ncccn2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
ADORA2A P29274 1/20 0.46
NPC1 O15118 4/20 0.44
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
PRSS1 P07477 1/20 0.41
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALOX15 P16050 2/20 0.39
ALPL P05186 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP6 P55212 4/20 0.39
HPGDS O60760 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37

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
SCHEMBL6453993 0.87 NPC1 (0.58) IDO1ADORA2ANPC1F2F10
SCHEMBL6449996 0.85 GRK6 (0.48) ADORA2ANPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL6454399 0.83 IDO1 (0.41) IDO1ADORA2ANPC1F2F10
SCHEMBL6448384 0.83 IDO1 (0.41) IDO1ADORA2ANPC1F2F10
SCHEMBL6451279 0.83 GRK6 (0.50) IDO1ADORA2ANPC1F2F10
SCHEMBL6449913 0.83 CYP19A1 (0.51) IDO1ADORA2ANPC1F2F10
SCHEMBL6452420 0.83 IDO1 (0.52) IDO1ADORA2ASMN1; SMN2ALOX15DCUN1D1
SCHEMBL6451100 0.81 TRPV1 (0.43) IDO1ADORA2ANPC1F2F10
SCHEMBL6449793 0.80 ADORA2A (0.69) IDO1ADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL6448693 0.80 IDO1 (0.45) IDO1ADORA2ANPC1F2F10

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 IDO1 2394/4885ADORA2A 1442/4885NPC1 59/4885

“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.