SCHEMBL6448693

SCHEMBL6448693

Oc1ccc(F)cc1-c1nc(-c2cnccn2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
CASP6 P55212 1/20 0.41
ADORA2A P29274 2/20 0.40
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
PRSS1 P07477 1/20 0.38
ALOX15 P16050 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALPL P05186 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 3/20 0.37
WNT1 P04628 2/20 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
SCHEMBL6448741 0.87 GRK6 (0.43) NPC1RAB9AADORA2AALOX15SMN1; SMN2
SCHEMBL6448721 0.85 IDO1 (0.47) IDO1NPC1RAB9AADORA2AALOX15
SCHEMBL6453065 0.85 GRK6 (0.46) IDO1NPC1RAB9AADORA2AF2
SCHEMBL6449080 0.85 GRK6 (0.46) IDO1NPC1RAB9AADORA2AF2
SCHEMBL6453993 0.84 NPC1 (0.58) IDO1NPC1RAB9ACASP6ADORA2A
SCHEMBL6449765 0.82 ADORA2A (0.38) NPC1RAB9AADORA2AALOX15SMN1; SMN2
SCHEMBL6451421 0.82 GRK6 (0.48) NPC1RAB9AADORA2AF2F10
SCHEMBL6452609 0.82 ADORA2A (0.58) IDO1NPC1RAB9AADORA2AALOX15
SCHEMBL6461045 0.80 IDO1 (0.48) IDO1NPC1RAB9ACASP6ADORA2A
SCHEMBL6449979 0.80 GRK6 (0.51) NPC1RAB9AADORA2AF2F10

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 IDO1 2394/4885NPC1 59/4885RAB9A 2483/4885

“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.