SCHEMBL248493

SCHEMBL248493

Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4cncnc4)cc3)cc2F)ccn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.53
KDM1A O60341 2/20 0.53
WNT3A P56704 1/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
WDR5 P61964 1/20 0.45
ROCK2 O75116 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ROCK1 Q13464 1/20 0.45

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
SCHEMBL1912410 0.88 WNT3A (0.45) HDAC1KDM1AWNT3APSEN1PSEN2
SCHEMBL248751 0.88 PSEN1 (0.59) HDAC1KDM1AWNT3APSEN1PSEN2
SCHEMBL1912406 0.77 HDAC2 (0.50) HDAC1WNT3AWDR5
SCHEMBL251815 0.76 WNT3A (0.58) WNT3A
SCHEMBL248886 0.75 ROCK2 (0.64) HDAC1WNT3APSEN1PSEN2APH1B
SCHEMBL246715 0.75 WNT3A (0.61) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL14802584 0.75 HDAC1 (0.51) HDAC1KDM1AROCK2CYP3A4CYP2D6
SCHEMBL14817885 0.74 HDAC1 (0.55) HDAC1KDM1AROCK2CYP3A4CYP2D6
SCHEMBL248089 0.74 WNT3A (0.60) HDAC1KDM1AWNT3APSEN1PSEN2
SCHEMBL1912407 0.72 WNT3A (0.57) HDAC1WNT3A

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 HDAC1 830/4885KDM1A 3143/4885WNT3A 1/4885

“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.