SCHEMBL9905418

SCHEMBL9905418

CS(=O)(=O)c1ccc(-c2nnc(C=CC(=O)NNC(=O)c3ccc(Cl)cc3)n2-c2ccccc2Cl)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 8/20 0.52
▸ TNKS2 Q9H2K2 8/20 0.52
▸ SULT2A1 Q06520 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAOB P27338 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 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
SCHEMBL9905416 1.00 TNKS (0.52) TNKSTNKS2SULT2A1ALDH1A1KDM4E
SCHEMBL9901468 0.92 TNKS (0.63) TNKSTNKS2SULT2A1ALDH1A1MAOB
SCHEMBL9901470 0.92 TNKS (0.63) TNKSTNKS2SULT2A1ALDH1A1MAOB
SCHEMBL9905220 0.86 TNKS (0.62) TNKSTNKS2SULT2A1ALDH1A1MAPT
SCHEMBL9905223 0.86 TNKS (0.62) TNKSTNKS2SULT2A1ALDH1A1MAPT
SCHEMBL9902076 0.84 TNKS (0.61) TNKSTNKS2SULT2A1MAPK1
SCHEMBL9902075 0.84 TNKS (0.61) TNKSTNKS2SULT2A1MAPK1
SCHEMBL9926243 0.84 TNKS (0.62) TNKSTNKS2SULT2A1MAOBMAOA
SCHEMBL9926183 0.77 TNKS2 (0.46) TNKSTNKS2SULT2A1ALDH1A1LMNA
SCHEMBL9905154 0.75 TNKS (0.86) TNKSTNKS2SULT2A1ALDH1A1KDM4E

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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