SCHEMBL6450102

SCHEMBL6450102

COc1ccc(O)c(-c2nc(-c3cccc(C)n3)n[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.50
MGAM O43451 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
GRK6 P43250 2/20 0.49
KMT2A Q03164 8/20 0.46
MEN1 O00255 6/20 0.46
ALOX15 P16050 6/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 5/20 0.46
HPGD P15428 5/20 0.46
NPC1 O15118 4/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
USP2 O75604 2/20 0.45
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45

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
SCHEMBL6449669 0.92 MGAM (0.49) GAAMGAMSIMGAM2GRK6
SCHEMBL6448909 0.86 GRK6 (0.49) GRK6RAB9ANPC1NR1H2NR1H3
SCHEMBL6448841 0.85 GRK6 (0.47) GAAGRK6KMT2AMEN1ALOX15
SCHEMBL6448635 0.83 SMN1; SMN2 (0.55) GAAMGAMSIMGAM2GRK6
SCHEMBL6456986 0.83 GRK6 (0.46) GRK6KMT2AMEN1ALOX15RAB9A
SCHEMBL6452540 0.83 IDO1 (0.44) KMT2AMEN1ALOX15RAB9AMAPT
SCHEMBL6460763 0.83 TGFBR1 (0.41) KMT2AMEN1ALOX15RAB9AMAPT
SCHEMBL6452275 0.81 MEN1 (0.39) GAAMGAMSIMGAM2GRK6
SCHEMBL6453486 0.81 ADORA2A (0.60) GAAMGAMSIMGAM2KMT2A
SCHEMBL6451523 0.80 NR1H2 (0.65) GRK6NR1H2NR1H3

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 GAA 519/4885MGAM 4379/4885SI 2977/4885

“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.