SCHEMBL248928

SCHEMBL248928

O=C(NCc1ccc(-c2ccnc(C(F)(F)F)c2)nc1)c1ccc(-c2cnccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.52
HDAC1 Q13547 6/20 0.52
MAOA P21397 1/20 0.48
WNT3A P56704 4/20 0.48
ITK Q08881 1/20 0.44
HPGDS O60760 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARA Q07869 1/20 0.43
PPARG P37231 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC5 Q9UQL6 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
SCHEMBL248694 0.92 HPGDS (0.47) KDM1AHDAC1MAOAWNT3AITK
SCHEMBL248021 0.91 HDAC1 (0.57) KDM1AHDAC1MAOAWNT3APPARG
SCHEMBL248044 0.90 WNT3A (0.49) KDM1AHDAC1WNT3A
SCHEMBL247906 0.87 WNT3A (0.62) KDM1AHDAC1MAOAWNT3AHPGDS
SCHEMBL248076 0.85 WNT3A (0.53) KDM1AHDAC1MAOAWNT3A
SCHEMBL248996 0.85 WNT3A (0.62) KDM1AHDAC1MAOAWNT3A
SCHEMBL17243383 0.85 L3MBTL1 (0.46) KDM1AHDAC1WNT3AHPGDSL3MBTL1
SCHEMBL249298 0.84 WNT3A (0.47) WNT3AL3MBTL1
SCHEMBL14802382 0.83 HDAC1 (0.52) KDM1AHDAC1MAOAWNT3AL3MBTL1
SCHEMBL17243393 0.82 WNT3A (0.48) WNT3AL3MBTL1

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 KDM1A 3143/4885HDAC1 830/4885MAOA 3684/4885

“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.