SCHEMBL6450106

SCHEMBL6450106

Oc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cn2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.53
DCUN1D1 Q96GG9 1/20 0.45
HSD17B10 Q99714 4/20 0.43
ALOX15 P16050 3/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 2/20 0.43
CHUK O15111 1/20 0.41
TXNRD1 Q16881 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALPL P05186 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL6451336 0.86 IDO1 (0.43) ADORA2AALOX15MAPK1SMN1; SMN2NPSR1
SCHEMBL6452047 0.85 NPSR1 (0.41) ADORA2AHSD17B10ALOX15MAPK1TP53
SCHEMBL6451251 0.84 NPC1 (0.40) ADORA2AALOX15MAPK1NPC1RAB9A
SCHEMBL6459405 0.84 NPC1 (0.40) ADORA2AHSD17B10ALOX15MAPK1TP53
SCHEMBL6453795 0.83 GRK6 (0.42) ADORA2AMAPK1TP53SMN1; SMN2NPSR1
SCHEMBL6450827 0.83 NPSR1 (0.38) ADORA2AHSD17B10ALOX15MAPK1TP53
SCHEMBL6451407 0.83 HPGD (0.48) ADORA2AALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL6449908 0.82 MAPT (0.45) ADORA2AMAPK1TDP1NPSR1POLB
SCHEMBL6449821 0.82 MAPT (0.44) HSD17B10ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL6449108 0.81 MAPT (0.39) ADORA2AHSD17B10ALOX15NPC1RAB9A

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 ADORA2A 1442/4885DCUN1D1 3978/4885HSD17B10 205/4885

“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.