SCHEMBL6449867

SCHEMBL6449867

Cn1nc(-c2ccccn2)nc1-c1ccc(OCc2ccccc2)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.46
FFAR1 O14842 5/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 5/20 0.43
NPSR1 Q6W5P4 5/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 2/20 0.42
APAF1 O14727 1/20 0.42
KDM4A O75164 1/20 0.42
TDP2 O95551 1/20 0.42
EGFR P00533 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
PPARG P37231 1/20 0.42
CASP3 P42574 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6453933 0.86 IDH1 (0.51) MAPK1FFAR1NPC1RAB9AKMT2A
SCHEMBL6449876 0.85 CYP3A4 (0.44) MAPK1NPC1RAB9AKMT2AMEN1
SCHEMBL6459175 0.80 KDM4A (0.52) MAPK1NPC1RAB9AKMT2AMEN1
SCHEMBL6450015 0.79 CYP19A1 (0.49) MAPK1FFAR1NPC1RAB9AKMT2A
SCHEMBL6457282 0.78 NPC1 (0.48) MAPK1FFAR1NPC1RAB9AKMT2A
SCHEMBL6461029 0.76 SMN1; SMN2 (0.52) MAPK1NPC1RAB9AMAPTNPSR1
SCHEMBL29502798 0.75 ALOX5 (0.59) MAPK1NPC1RAB9AKMT2AMEN1
SCHEMBL14814840 0.75 ALOX5 (0.59) MAPK1NPC1RAB9AKMT2AMEN1
SCHEMBL14085542 0.75 MAPT (0.54) MAPK1NPC1RAB9AKMT2AMEN1
SCHEMBL6453666 0.74 KDM4E (0.46) MAPK1NPC1RAB9AKMT2AMEN1

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 MAPK1 4158/4885FFAR1 3436/4885NPC1 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.