SCHEMBL9905101

SCHEMBL9905101

COc1cc(-c2nnc(C=Cc3nnc(-c4ccc(Cl)cc4Cl)n3-c3ccccc3Cl)o2)ccn1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 7/20 0.68
TNKS2 Q9H2K2 7/20 0.68
SULT2A1 Q06520 1/20 0.46
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
METAP2 P50579 1/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSD11B1 P28845 1/20 0.35
PARP1 P09874 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9905099 1.00 TNKS (0.68) TNKSTNKS2SULT2A1ACHEBACE1
SCHEMBL9905314 0.89 TNKS (0.82) TNKSTNKS2SULT2A1ACHEBACE1
SCHEMBL9905315 0.89 TNKS (0.82) TNKSTNKS2SULT2A1ACHEBACE1
SCHEMBL9905265 0.88 TNKS (0.71) TNKSTNKS2SULT2A1METAP2HPGD
SCHEMBL9905263 0.88 TNKS (0.71) TNKSTNKS2SULT2A1METAP2HPGD
SCHEMBL15449799 0.87 TNKS (0.54) TNKSTNKS2SULT2A1ACHEBACE1
SCHEMBL15449797 0.86 TNKS (0.68) TNKSTNKS2SULT2A1ACHEBACE1
SCHEMBL9905159 0.85 TNKS (0.68) TNKSTNKS2SULT2A1METAP2HPGD
SCHEMBL9905157 0.85 TNKS (0.68) TNKSTNKS2SULT2A1METAP2HPGD
SCHEMBL9905150 0.85 TNKS2 (0.73) TNKSTNKS2SULT2A1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403812-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2016-08-02 US disclosed
US-20150322057-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2015-11-12 US disclosed
US-9096587-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2015-08-04 US disclosed
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO University Hospital, HF (NO) 2014-01-30 US disclosed
EP-2649063-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS Oslo University Hospital HF (NO) 2013-10-16 EP disclosed
WO-2012076898-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2012-06-14 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 (2 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-20150322057-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 TNKS 118/4885TNKS2 167/4885SULT2A1 1173/4885
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 TNKS 145/4885TNKS2 191/4885SULT2A1 1203/4885

“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.