SCHEMBL248765

SCHEMBL248765

Cc1cc(CNC(=O)c2ccc(-c3cccc(F)c3)cn2)cnc1-c1ccnc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 7/20 0.57
ROCK2 O75116 1/20 0.47
RET P07949 1/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM4 P08173 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2B Q13224 1/20 0.42
GCGR P47871 1/20 0.42

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
SCHEMBL248909 0.94 WNT3A (0.66) WNT3A
SCHEMBL248356 0.90 WNT3A (0.53) WNT3ARETADORA2AADORA1KCNH2
SCHEMBL246093 0.87 WNT3A (0.57) WNT3ARET
SCHEMBL247792 0.85 WNT3A (0.66) WNT3ACYP1A2CYP2C9KCNH2GRIN2B
SCHEMBL1912425 0.83 WNT3A (0.57) WNT3A
SCHEMBL248933 0.81 WNT3A (0.51) WNT3AKCNH2GRIN2B
SCHEMBL27893431 0.80 KCNH2 (0.53) WNT3ARETKCNH2GRIN2B
SCHEMBL249259 0.80 WNT3A (0.46) WNT3AADORA2AADORA1KCNH2GRIN2B
SCHEMBL249342 0.79 WNT3A (0.66) WNT3A
SCHEMBL248921 0.78 KCNH2 (0.42) WNT3ARETKCNH2GRIN2B

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 1/4885ROCK2 159/4885RET 921/4885

“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.