SCHEMBL6454399

SCHEMBL6454399

Cc1cccnc1-c1n[nH]c(-c2cc(F)ccc2O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
ADORA2A P29274 1/20 0.39
NPC1 O15118 2/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
PRSS1 P07477 1/20 0.37
SQOR Q9Y6N5 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSP90AA1 P07900 1/20 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
SCHEMBL6454473 0.88 GRK6 (0.46) IDO1ADORA2ANPC1F2F10
SCHEMBL6452590 0.88 GAA (0.47) ADORA2ANPC1MGAMGAASI
SCHEMBL6448384 0.86 IDO1 (0.41) IDO1ADORA2ANPC1F2F10
SCHEMBL6454663 0.86 IDO1 (0.45) IDO1ADORA2ANPC1MAPTALOX15
SCHEMBL6458727 0.86 GRK6 (0.44) IDO1ADORA2ANPC1F2F10
SCHEMBL6454610 0.84 GAA (0.51) NPC1F2F10PLGPLAU
SCHEMBL6451100 0.84 TRPV1 (0.43) IDO1ADORA2ANPC1F2F10
SCHEMBL6451270 0.84 KMT2A (0.40) ADORA2ANPC1MGAMGAASI
SCHEMBL6450012 0.84 ADORA2A (0.57) IDO1ADORA2ANPC1MGAMGAA
SCHEMBL6461045 0.83 IDO1 (0.48) 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.