SCHEMBL6448859

SCHEMBL6448859

COc1ccc(Br)cc1-c1nc(-c2ccc(C(F)(F)F)cn2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.44
AMY1A P0DUB6 2/20 0.41
THRB P10828 1/20 0.39
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 2/20 0.36
TSHR P16473 2/20 0.36
RAB9A P51151 1/20 0.36
CASP3 P42574 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.35
PPP1CA P62136 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34

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
SCHEMBL6453795 0.84 GRK6 (0.42) GRK6THRBIDO1NPSR1TSHR
SCHEMBL6453051 0.82 THRB (0.39) THRBNPSR1NPC1TSHRRAB9A
SCHEMBL6460671 0.79 SMN1; SMN2 (0.43) IDO1TDO2NPSR1NPC1TSHR
SCHEMBL6449821 0.77 MAPT (0.44) GRK6NPC1RAB9ACASP3HTT
SCHEMBL6452037 0.77 GRK6 (0.46) GRK6NPSR1NPC1RAB9A
SCHEMBL6452660 0.77 GRK6 (0.45) GRK6IDO1TDO2NPSR1NPC1
SCHEMBL6454632 0.77 ALDH1A1 (0.53) GRK6THRBIDO1NPSR1NPC1
SCHEMBL6449962 0.76 GRK6 (0.44) GRK6AMY1ANPC1TSHRRAB9A
SCHEMBL6452047 0.74 NPSR1 (0.41) GRK6AMY1ANPSR1NPC1RAB9A
SCHEMBL6454205 0.74 NR1H2 (0.56) GRK6NPSR1NPC1RAB9ASMN1; SMN2

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 2654/4885AMY1A 3418/4885THRB 4083/4885

“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.