SCHEMBL9905260

SCHEMBL9905260

COc1cc(C(=O)NNC(=O)/C=C/c2nnc(-c3ccc(S(C)(=O)=O)cn3)n2-c2ccc(OC(F)(F)F)cc2Cl)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 8/20 0.49
▸ TNKS2 Q9H2K2 8/20 0.49
▸ SULT2A1 Q06520 1/20 0.37
▸ NAMPT P43490 2/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ SMURF1 Q9HCE7 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
SCHEMBL9905264 1.00 TNKS (0.49) TNKSTNKS2SULT2A1NAMPTSCN10A
SCHEMBL9905220 0.88 TNKS (0.62) TNKSTNKS2SULT2A1
SCHEMBL9905223 0.88 TNKS (0.62) TNKSTNKS2SULT2A1
SCHEMBL9905131 0.83 TNKS (0.46) TNKSTNKS2SULT2A1NAMPTHDAC3
SCHEMBL9905133 0.83 TNKS (0.46) TNKSTNKS2SULT2A1NAMPTHDAC3
SCHEMBL9905471 0.79 TNKS (0.78) TNKSTNKS2SULT2A1DYRK1AGRM7
SCHEMBL9905472 0.79 TNKS (0.78) TNKSTNKS2SULT2A1DYRK1AGRM7
SCHEMBL9905416 0.75 TNKS (0.52) TNKSTNKS2SULT2A1
SCHEMBL9905418 0.75 TNKS (0.52) TNKSTNKS2SULT2A1
SCHEMBL9901468 0.72 TNKS (0.63) TNKSTNKS2SULT2A1SCN9A

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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