SCHEMBL11919929

SCHEMBL11919929

CCOc1ccc(-n2c(SCc3nnc(C)o3)nnc2-c2ccncc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 6/20 0.69
▸ MAPT P10636 5/20 0.69
▸ TNKS2 Q9H2K2 7/20 0.68
▸ TNKS O95271 4/20 0.68
▸ TSHR P16473 4/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ THRB P10828 2/20 0.58
▸ TP53 P04637 3/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ SULT2A1 Q06520 1/20 0.55
▸ NR5A1 Q13285 1/20 0.55
▸ AXIN2 Q9Y2T1 1/20 0.55
▸ USP2 O75604 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ HTT P42858 2/20 0.54
▸ HPGD P15428 2/20 0.54

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
SCHEMBL11919926 0.84 TP53 (0.64) NPSR1MAPTTNKS2TNKSTSHR
SCHEMBL20869595 0.82 TSHR (0.71) NPSR1MAPTTNKS2TNKSTSHR
SCHEMBL11919923 0.78 MAPT (0.76) NPSR1MAPTTNKS2TNKSTSHR
SCHEMBL11919908 0.78 NPSR1 (0.90) NPSR1MAPTTNKS2TNKSTSHR
SCHEMBL15709070 0.74 ALDH1A1 (0.64) NPSR1MAPTTNKS2TNKSTSHR
SCHEMBL16486369 0.73 TP53 (0.86) NPSR1MAPTTSHRALDH1A1SMN1; SMN2
SCHEMBL13048282 0.73 NPSR1 (0.70) NPSR1MAPTTNKS2TNKSTSHR
SCHEMBL11919928 0.73 TNKS2 (0.61) NPSR1MAPTTNKS2TNKSTSHR
SCHEMBL6403463 0.73 CYP3A4 (0.73) NPSR1MAPTTNKS2TNKSTSHR
SCHEMBL16486196 0.72 SMN1; SMN2 (0.69) NPSR1MAPTTNKS2TNKSTSHR

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 NPSR1 4727/4885MAPT 2763/4885TNKS2 1460/4885

“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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