SCHEMBL9905223

SCHEMBL9905223

COc1cc(C(=O)NNC(=O)C=Cc2nnc(-c3ccc(S(C)(=O)=O)cn3)n2-c2ccccc2Cl)ccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 9/20 0.62
▸ TNKS2 Q9H2K2 9/20 0.62
▸ SULT2A1 Q06520 1/20 0.48
▸ CTSA P10619 1/20 0.36
▸ APLNR P35414 2/20 0.35
▸ POLB P06746 1/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CCR9 P51686 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL9905220 1.00 TNKS (0.62) TNKSTNKS2SULT2A1CTSAAPLNR
SCHEMBL9905264 0.88 TNKS (0.49) TNKSTNKS2SULT2A1
SCHEMBL9905260 0.88 TNKS (0.49) TNKSTNKS2SULT2A1
SCHEMBL9905418 0.86 TNKS (0.52) TNKSTNKS2SULT2A1POLBMAPT
SCHEMBL9905416 0.86 TNKS (0.52) TNKSTNKS2SULT2A1POLBMAPT
SCHEMBL9901468 0.84 TNKS (0.63) TNKSTNKS2SULT2A1SMN1; SMN2ALDH1A1
SCHEMBL9901470 0.84 TNKS (0.63) TNKSTNKS2SULT2A1SMN1; SMN2ALDH1A1
SCHEMBL15452795 0.82 TNKS (0.42) TNKSTNKS2CTSAPOLBKCNK3
SCHEMBL17955704 0.81 TNKS (0.57) TNKSTNKS2SULT2A1CTSAAPLNR
SCHEMBL9902075 0.79 TNKS (0.61) TNKSTNKS2SULT2A1KMT2A

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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