SCHEMBL6449633

SCHEMBL6449633

Cc1cccc(-c2n[nH]c(-c3c(F)cccc3F)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALPL P05186 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
METAP2 P50579 1/20 0.41
TGFBR1 P36897 9/20 0.39
JAK2 O60674 1/20 0.36
TGFBR2 P37173 3/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAPK14 Q16539 1/20 0.35
AKT1 P31749 2/20 0.35
AKT2 P31751 2/20 0.35

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
SCHEMBL6449933 0.90 JAK2 (0.47) CCR1CCR8NPC1RAB9ASMN1; SMN2
SCHEMBL6452524 0.85 DCUN1D1 (0.50) CCR1CCR8NPC1RAB9ASMN1; SMN2
SCHEMBL13377809 0.84 CCR1 (0.54) CCR1CCR8NPC1RAB9ASMN1; SMN2
SCHEMBL6449632 0.82 JAK2 (0.56) CCR1CCR8NPC1RAB9ASMN1; SMN2
SCHEMBL18807016 0.76 CCR1 (0.62) CCR1CCR8METAP2TGFBR1HCRTR1
SCHEMBL6454147 0.75 MEN1 (0.41) CCR1CCR8NPC1RAB9ASMN1; SMN2
SCHEMBL6448909 0.75 GRK6 (0.49) NPC1RAB9ATGFBR1NR1H2NR1H3
SCHEMBL6452058 0.75 NR1H2 (0.46) NPC1RAB9ASMN1; SMN2TGFBR1NR1H2
SCHEMBL6451236 0.75 NR1H2 (0.59) CCR1CCR8NPC1RAB9ASMN1; SMN2
SCHEMBL7049722 0.75 TGFBR1 (0.53) CCR1CCR8NPC1RAB9ASMN1; 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 CCR1 128/4885CCR8 124/4885NPC1 59/4885

“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.