SCHEMBL11919921

SCHEMBL11919921

CCn1c(SCc2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccncc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 11/20 0.76
▸ MAPT P10636 6/20 0.76
▸ TNKS O95271 5/20 0.76
▸ SMN1; SMN2 Q16637 3/20 0.76
▸ THRB P10828 3/20 0.76
▸ TP53 P04637 5/20 0.72
▸ CYP3A4 P08684 3/20 0.72
▸ CYP2C9 P11712 2/20 0.72
▸ AXIN2 Q9Y2T1 2/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ SULT2A1 Q06520 1/20 0.72
▸ NR5A1 Q13285 1/20 0.72
▸ TSHR P16473 1/20 0.67
▸ NPSR1 Q6W5P4 2/20 0.62
▸ LMNA P02545 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ GAA P10253 1/20 0.58

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
SCHEMBL11919898 0.84 TNKS2 (1.00) TNKS2MAPTTNKSSMN1; SMN2THRB
SCHEMBL11919903 0.82 TP53 (1.00) TNKS2MAPTTNKSSMN1; SMN2THRB
SCHEMBL16010756 0.82 TNKS2 (1.00) TNKS2MAPTTNKSSMN1; SMN2THRB
SCHEMBL1544573 0.81 SMN1; SMN2 (0.59) TNKS2MAPTTNKSSMN1; SMN2THRB
SCHEMBL11919936 0.78 NPSR1 (0.58) TNKS2MAPTTNKSSMN1; SMN2THRB
SCHEMBL16447499 0.78 TNKS2 (1.00) TNKS2MAPTTNKSSMN1; SMN2THRB
SCHEMBL15983500 0.76 ALDH1A1 (0.58) TNKS2MAPTSMN1; SMN2TP53TSHR
SCHEMBL4206332 0.76 CYP3A4 (0.86) SMN1; SMN2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL4206374 0.76 CYP3A4 (0.80) SMN1; SMN2TP53CYP3A4CYP2C9CYP2D6
SCHEMBL17695669 0.76 GSK3A (0.74) TNKS2MAPTTNKSSMN1; SMN2THRB

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 5 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
WO-2010139966-A1 AZOLE DERIVATIVES AS WTN PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2010-12-09 — — 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 (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.

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