SCHEMBL11919953

SCHEMBL11919953

COc1ccc(-n2c(SC3(c4nc(-c5ccc(C)cc5)no4)CCCC3)nnc2-c2ccncc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 10/20 0.64
MAPT P10636 5/20 0.64
TNKS O95271 5/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C9 P11712 2/20 0.64
AXIN2 Q9Y2T1 2/20 0.64
CYP2D6 P10635 1/20 0.64
SULT2A1 Q06520 1/20 0.64
NR5A1 Q13285 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.59
THRB P10828 2/20 0.59
TP53 P04637 6/20 0.55
NPSR1 Q6W5P4 2/20 0.54
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL11919952 0.98 TNKS2 (0.64) TNKS2MAPTTNKSCYP3A4CYP2C9
SCHEMBL11919951 0.97 TNKS2 (0.66) TNKS2MAPTTNKSCYP3A4CYP2C9
SCHEMBL13047151 0.90 NPSR1 (0.55) TNKS2MAPTTNKSCYP3A4CYP2C9
SCHEMBL13049096 0.86 NPSR1 (0.57) TNKS2MAPTTNKSCYP3A4CYP2C9
SCHEMBL11919941 0.83 TNKS2 (0.47) TNKS2MAPTTNKSCYP3A4CYP2C9
SCHEMBL11919940 0.81 TNKS2 (0.47) TNKS2MAPTTNKSCYP3A4CYP2C9
SCHEMBL11919938 0.79 TNKS2 (0.48) TNKS2MAPTTNKSCYP3A4CYP2C9
SCHEMBL11919950 0.79 TNKS2 (0.68) TNKS2MAPTTNKSCYP3A4CYP2C9
SCHEMBL11919898 0.78 TNKS2 (1.00) TNKS2MAPTTNKSCYP3A4CYP2C9
SCHEMBL11919900 0.77 TNKS2 (0.83) TNKS2MAPTTNKSCYP3A4CYP2C9

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 TNKS2 1460/4885MAPT 2763/4885TNKS 1665/4885

“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.