SCHEMBL11919906

SCHEMBL11919906

COc1ccc(-n2c(SCc3nc(-c4ccc(C)cc4)no3)nnc2-c2ccccc2OC)cc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.82
TNKS2 Q9H2K2 14/20 0.78
MAPT P10636 5/20 0.78
THRB P10828 4/20 0.78
TNKS O95271 5/20 0.75
CYP3A4 P08684 3/20 0.75
CYP2C9 P11712 3/20 0.75
AXIN2 Q9Y2T1 3/20 0.75
CYP2D6 P10635 1/20 0.75
SULT2A1 Q06520 1/20 0.75
NR5A1 Q13285 1/20 0.75
SMN1; SMN2 Q16637 2/20 0.70
GAA P10253 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64

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
SCHEMBL13048281 0.92 TP53 (0.69) TP53TNKS2MAPTTHRBTNKS
SCHEMBL11919898 0.85 TNKS2 (1.00) TP53TNKS2MAPTTHRBTNKS
SCHEMBL16447499 0.85 TNKS2 (1.00) TP53TNKS2MAPTTHRBTNKS
SCHEMBL16010756 0.82 TNKS2 (1.00) TP53TNKS2MAPTTHRBTNKS
SCHEMBL11919903 0.79 TP53 (1.00) TP53TNKS2MAPTTHRBTNKS
SCHEMBL11919900 0.77 TNKS2 (0.83) TP53TNKS2MAPTTHRBTNKS
SCHEMBL6403474 0.76 CYP3A4 (0.73) TP53MAPTCYP3A4SMN1; SMN2GAA
SCHEMBL11919996 0.75 ALDH1A1 (0.80) TP53TNKS2MAPTTHRBTNKS
SCHEMBL11920016 0.74 TP53 (0.84) TP53TNKS2MAPTTHRBTNKS
SCHEMBL11919901 0.74 TP53 (1.00) TP53TNKS2MAPTTHRBTNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 US disclosed
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 US 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 (1 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-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors WNT1, AXIN2, WNT3 TP53 53/4885TNKS2 1460/4885MAPT 2763/4885

“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.