SCHEMBL6448909

SCHEMBL6448909

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.49
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
ADORA2A P29274 3/20 0.42
TGFBR1 P36897 3/20 0.40
TNIK Q9UKE5 3/20 0.40
ADORA1 P30542 2/20 0.40
AMY1A P0DUB6 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSA P10619 1/20 0.38
MAPK14 Q16539 1/20 0.38
CYP1A2 P05177 1/20 0.37
STIM1 Q13586 2/20 0.37
ORAI1 Q96D31 2/20 0.37
GRM5 P41594 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.36

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 0.86 GAA (0.50) GRK6NR1H2NR1H3NPC1RAB9A
SCHEMBL6449669 0.84 MGAM (0.49) GRK6NR1H2NR1H3ADORA2AADORA1
SCHEMBL6449668 0.83 SMN1; SMN2 (0.55) GRK6NR1H2NR1H3NPC1RAB9A
SCHEMBL6452524 0.81 DCUN1D1 (0.50) GRK6NR1H2NR1H3ADORA2ATGFBR1
SCHEMBL6451523 0.80 NR1H2 (0.65) GRK6NR1H2NR1H3ADORA2AADORA1
SCHEMBL6448919 0.77 GRK6 (0.47) GRK6NR1H2NR1H3ADORA2ATNIK
SCHEMBL6449633 0.75 CCR1 (0.44) NR1H2NR1H3TGFBR1NPC1RAB9A
SCHEMBL6452037 0.75 GRK6 (0.46) GRK6NR1H2NR1H3NPC1RAB9A
SCHEMBL13377809 0.74 CCR1 (0.54) NR1H2NR1H3TGFBR1NPC1RAB9A
SCHEMBL6448827 0.74 GRK6 (0.47) GRK6NR1H2NR1H3ADORA2AADORA1

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 2654/4885NR1H2 34/4885NR1H3 24/4885

“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.