SCHEMBL9905472

SCHEMBL9905472

COc1cc(-c2nnc(C=Cc3nnc(-c4ccc(S(C)(=O)=O)cn4)n3-c3ccc(OC(F)(F)F)cc3Cl)o2)ccn1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 8/20 0.78
▸ TNKS2 Q9H2K2 8/20 0.78
▸ SULT2A1 Q06520 1/20 0.56
▸ DYRK1A Q13627 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ GRM7 Q14831 2/20 0.32
▸ LCLAT1 Q6UWP7 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL9905471 1.00 TNKS (0.78) TNKSTNKS2SULT2A1DYRK1ABCHE
SCHEMBL9905439 0.88 TNKS (1.00) TNKSTNKS2SULT2A1
SCHEMBL9905440 0.88 TNKS (1.00) TNKSTNKS2SULT2A1
SCHEMBL15449840 0.87 TNKS (0.74) TNKSTNKS2SULT2A1BCHEACHE
SCHEMBL9905264 0.79 TNKS (0.49) TNKSTNKS2SULT2A1DYRK1AGRM7
SCHEMBL9905260 0.79 TNKS (0.49) TNKSTNKS2SULT2A1DYRK1AGRM7
SCHEMBL15449823 0.79 TNKS (0.83) TNKSTNKS2SULT2A1
SCHEMBL9905415 0.79 TNKS (0.83) TNKSTNKS2SULT2A1PTGS2
SCHEMBL9905412 0.79 TNKS (0.83) TNKSTNKS2SULT2A1PTGS2
SCHEMBL9905131 0.79 TNKS (0.46) TNKSTNKS2SULT2A1PTGS2

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.

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