SCHEMBL5606330

SCHEMBL5606330

CCCCc1c(C)nn(-c2nnc3c4ccccc4n(CC)c3n2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
TSHR P16473 6/20 1.00
LMNA P02545 4/20 1.00
POLB P06746 4/20 1.00
MAPK1 P28482 4/20 1.00
ALOX15 P16050 3/20 1.00
KMT2A Q03164 2/20 1.00
MEN1 O00255 1/20 1.00
XBP1 P17861 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
MAPT P10636 9/20 0.79
HTT P42858 1/20 0.79
HIF1A Q16665 1/20 0.79
TP53 P04637 4/20 0.49
CYP1A2 P05177 1/20 0.48
GAA P10253 2/20 0.48
HSD17B10 Q99714 3/20 0.46
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 2/20 0.46

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
SCHEMBL14366838 0.91 ALDH1A1 (0.83) ALDH1A1TSHRLMNAPOLBMAPK1
SCHEMBL6688843 0.90 ALDH1A1 (0.82) ALDH1A1TSHRLMNAPOLBMAPK1
SCHEMBL14366845 0.89 ALDH1A1 (0.80) ALDH1A1TSHRLMNAPOLBMAPK1
SCHEMBL14366843 0.89 ALDH1A1 (0.80) ALDH1A1TSHRLMNAPOLBMAPK1
SCHEMBL14366836 0.88 ALDH1A1 (1.00) ALDH1A1TSHRLMNAPOLBMAPK1
SCHEMBL6690424 0.88 ALDH1A1 (0.79) ALDH1A1TSHRLMNAPOLBMAPK1
SCHEMBL14366841 0.88 LMNA (0.79) ALDH1A1TSHRLMNAPOLBMAPK1
SCHEMBL6692102 0.87 ALDH1A1 (0.77) ALDH1A1TSHRLMNAPOLBMAPK1
SCHEMBL14366839 0.87 ALDH1A1 (0.76) ALDH1A1TSHRLMNAPOLBMAPK1
SCHEMBL14366840 0.86 ALDH1A1 (0.76) ALDH1A1TSHRLMNAPOLBMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 WO claimed
US-20070269420-A1 Compounds, Compositions and Methods for Treatment and Prophylaxis of Hepatitis C Viral Infections and Associated Diseases VIROPHARMA INCORPORATED 2007-11-22 US disclosed
US-20070269420-A1 Compounds, Compositions and Methods for Treatment and Prophylaxis of Hepatitis C Viral Infections and Associated Diseases VIROPHARMA INCORPORATED 2007-11-22 US disclosed
US-20070269420-A1 Compounds, Compositions and Methods for Treatment and Prophylaxis of Hepatitis C Viral Infections and Associated Diseases VIROPHARMA INCORPORATED 2007-11-22 US disclosed
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 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-20070269420-A1 Compounds, Compositions and Methods for Treatment and Prophylaxis of Hepatitis C Viral Infections and Associated Diseases HAVCR2, FABP1, LIPC ALDH1A1 971/4885TSHR 4657/4885LMNA 1671/4885

“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.