SCHEMBL6450064

SCHEMBL6450064

COc1ccc(-c2nc(-c3cnccn3)n[nH]2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.47
NOTUM Q6P988 1/20 0.44
IDH1 O75874 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 1/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 5/20 0.42
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41

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
SCHEMBL6451421 0.92 GRK6 (0.48) GRK6NOTUMALDH1A1NPSR1GAA
SCHEMBL6450451 0.84 NPC1 (0.56) GRK6NOTUMIDH1KDM4ENPC1
SCHEMBL6448806 0.83 MAPT (0.48) ALDH1A1NPSR1KDM4ECYP3A4KMT2A
SCHEMBL6452049 0.81 IDH1 (0.56) GRK6NOTUMIDH1NPSR1GAA
SCHEMBL6448741 0.80 GRK6 (0.43) GRK6ALDH1A1GAAKDM4ENPC1
SCHEMBL6452609 0.80 ADORA2A (0.58) KDM4ECYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL6452904 0.80 GRK6 (0.44) GRK6NOTUMALDH1A1GAAKDM4E
SCHEMBL6452705 0.78 GRK6 (0.51) GRK6ALDH1A1NPSR1GAAKDM4E
SCHEMBL6448721 0.78 IDO1 (0.47) ALDH1A1NPSR1NPC1KMT2AMEN1
SCHEMBL6449080 0.78 GRK6 (0.46) GRK6ALDH1A1NPSR1GAAKDM4E

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 GRK6 2654/4885NOTUM 1107/4885IDH1 89/4885

“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.