SCHEMBL6461091

SCHEMBL6461091

NN=C(N)c1ncccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 1/20 0.39
RRM2 P31350 1/20 0.39
RRM2B Q7LG56 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
GRM4 Q14833 1/20 0.39
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HSP90AA1 P07900 3/20 0.35
HSP90AB1 P08238 3/20 0.35
PLAU P00749 3/20 0.35
IDO1 P14902 1/20 0.35
PSMB5 P28074 1/20 0.35
MAPT P10636 2/20 0.34
BLM P54132 2/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL7960810 0.84 RRM1 (0.39) RRM1RRM2RRM2BCISD1GRM4
SCHEMBL7960813 0.84 RRM1 (0.39) RRM1RRM2RRM2BCISD1GRM4
SCHEMBL5263024 0.78 PLAU (0.50) PLAUMAPTBLMADRA2AADRA2B
SCHEMBL6448847 0.78 PLAU (0.37) TLR7HSP90AA1PLAUMAPTBLM
SCHEMBL30508919 0.78 PLAU (0.37) TLR7HSP90AA1PLAUMAPTBLM
SCHEMBL5263016 0.78 PLAU (0.50) PLAUMAPTBLMADRA2AADRA2B
SCHEMBL4069571 0.77 RRM1 (0.46) RRM1RRM2RRM2BCISD1GRM4
SCHEMBL13978251 0.75 GRM4 (0.34) RRM1RRM2RRM2BCISD1GRM4
SCHEMBL699068 0.75 MKNK1 (0.49) GRM4PIM1PIM3TLR7MAPT
SCHEMBL29385675 0.75 MKNK1 (0.49) GRM4PIM1PIM3TLR7MAPT

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 RRM1 2113/4885RRM2 1778/4885RRM2B 2154/4885

“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.