SCHEMBL1912423

SCHEMBL1912423

Cc1cc(CN)cnc1-c1cc[nH]c(=O)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 3/20 0.40
MAP4K4 O95819 2/20 0.39
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK14 Q16539 2/20 0.38
NOTUM Q6P988 1/20 0.38
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
POLQ O75417 1/20 0.35
CDK8 P49336 1/20 0.34
WNT3A P56704 4/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
PORCN Q9H237 1/20 0.33
NPY5R Q15761 1/20 0.33
BRAF P15056 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL1912413 0.74 WNT3A (0.52) WNT3APORCN
Hydrochloric Acid SCHEMBL249352 0.72 WNT3A (0.51) WNT3APORCN
SCHEMBL1912424 0.72 LOXL2 (0.53) MAPK14WNT3A
SCHEMBL248172 0.72 WNT3A (0.49) ALDH2WNT3APORCN
SCHEMBL14353060 0.71 NOTUM (0.58) ALDH2MAP4K4NOTUMCDK8
SCHEMBL24767108 0.69 LOX (0.56) MAPK13MAPK12MAPK11MAPK14WNT3A
SCHEMBL4233619 0.69 NOTUM (0.43) ALDH2MAP4K4MAPK13MAPK12MAPK11
SCHEMBL1912302 0.69 LOXL2 (0.55) MAP4K4NOTUMWNT3A
SCHEMBL2595424 0.68
SCHEMBL158195 0.67 NOTUM (0.53) ALDH2MAP4K4MAPK13MAPK12MAPK11

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 8 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
EP-2588453-B1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2015-04-01 EP disclosed
CN-102958917-B Compositions and methods for modulating the wnt signaling pathway IRM LLC (BM) 2014-10-08 CN 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
CN-102958917-A Compositions and methods for modulating the wnt signaling pathway IRM LLC 2013-03-06 CN 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 ALDH2 3477/4885MAP4K4 643/4885MAPK13 389/4885

“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.