SCHEMBL252468

SCHEMBL252468

O=C(NCc1ccc(-c2ccnc(F)c2)nc1)c1ccc(-n2ccccc2=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.42
HTT P42858 1/20 0.41
KLKB1 P03952 2/20 0.38
KLK1 P06870 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SCD O00767 1/20 0.37
F10 P00742 1/20 0.37
CHRM4 P08173 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP13 P45452 3/20 0.36
HPGDS O60760 1/20 0.36
DHODH Q02127 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PRKAA2 P54646 1/20 0.36

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
SCHEMBL1912371 0.80 WNT3A (0.45) WNT3AHTTALDH1A1CHRM4SMN1; SMN2
SCHEMBL16602590 0.79 F10 (0.37) HTTKLKB1KLK1ALDH1A1SCD
SCHEMBL249230 0.78 WNT3A (0.48) WNT3AEGLN1
SCHEMBL248037 0.75 WNT3A (0.45) WNT3AKLKB1KLK1CHRM4EGLN1
SCHEMBL247184 0.74 WNT3A (0.44) WNT3AALDH1A1
SCHEMBL249965 0.70 WNT3A (0.54) WNT3A
SCHEMBL249342 0.70 WNT3A (0.66) WNT3A
SCHEMBL247906 0.69 WNT3A (0.62) WNT3AHPGDS
SCHEMBL247582 0.69 WNT3A (0.50) WNT3AMMP13
SCHEMBL14802464 0.68 WDR5 (0.48) WNT3ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
EP-2588453-B1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2015-04-01 EP disclosed
EP-2588453-B1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2015-04-01 EP disclosed
EP-2588453-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 2013-05-08 EP disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 US disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 US disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 US disclosed
WO-2012003189-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 2012-01-05 WO disclosed
WO-2012003189-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 2012-01-05 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-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY WNT3A, WNT1, WNT3 WNT3A 1/4885HTT 4382/4885KLKB1 4062/4885

“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.