SCHEMBL6449669

SCHEMBL6449669

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.49
GAA P10253 2/20 0.49
SI P14410 2/20 0.49
MGAM2 Q2M2H8 2/20 0.49
GRK6 P43250 2/20 0.48
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL6450102 0.92 GAA (0.50) MGAMGAASIMGAM2GRK6
SCHEMBL6448909 0.84 GRK6 (0.49) GRK6NPC1RAB9ANR1H2NR1H3
SCHEMBL6449741 0.84 MAPT (0.46) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL6450451 0.83 NPC1 (0.56) GRK6MEN1KMT2ANPC1RAB9A
SCHEMBL6453486 0.82 ADORA2A (0.60) MGAMGAASIMGAM2KMT2A
SCHEMBL21083327 0.81 TGFBR1 (0.51) MGAMGAASIMGAM2MEN1
SCHEMBL6451523 0.81 NR1H2 (0.65) GRK6NR1H2NR1H3ADORA2AADORA1
SCHEMBL6452049 0.80 IDH1 (0.56) MGAMGAASIMGAM2GRK6
SCHEMBL6451138 0.79 KDM4E (0.47) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL6452540 0.79 IDO1 (0.44) MEN1KMT2ANPC1RAB9AMAPT

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 MGAM 4379/4885GAA 519/4885SI 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.