SCHEMBL248751

SCHEMBL248751

Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4cncnc4)cc3)cc2)ccn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.59
PSEN2 P49810 1/20 0.59
APH1B Q8WW43 1/20 0.59
NCSTN Q92542 1/20 0.59
APH1A Q96BI3 1/20 0.59
PSENEN Q9NZ42 1/20 0.59
WNT3A P56704 3/20 0.59
HDAC1 Q13547 3/20 0.55
WDR5 P61964 1/20 0.53
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
RPS6KA5 O75582 1/20 0.53
MAP4K4 O95819 1/20 0.53
PRKCG P05129 1/20 0.53
PRKACA P17612 1/20 0.53
RPS6KB1 P23443 1/20 0.53
MAPK1 P28482 1/20 0.53
AKT1 P31749 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53

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
SCHEMBL248493 0.88 HDAC1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL248886 0.87 ROCK2 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL248089 0.85 WNT3A (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14802584 0.84 HDAC1 (0.51) HDAC1ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL14817885 0.83 HDAC1 (0.55) HDAC1ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL246715 0.82 WNT3A (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL247951 0.82 WNT3A (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL247565 0.80 WNT3A (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL248996 0.76 WNT3A (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL248624 0.76 WNT3A (0.64) PSEN1PSEN2APH1BNCSTNAPH1A

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 13 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
CN-102958917-B Compositions and methods for modulating the wnt signaling pathway IRM LLC (BM) 2014-10-08 CN 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
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
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 PSEN1 3229/4885PSEN2 2760/4885APH1B 1187/4885

“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.