SCHEMBL1912302

SCHEMBL1912302

Cc1cc(CN)cnc1-c1ccnc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.55
LOX P28300 1/20 0.54
AAK1 Q2M2I8 2/20 0.42
IDO1 P14902 1/20 0.42
LRRK2 Q5S007 1/20 0.40
NOTUM Q6P988 1/20 0.39
WNT3A P56704 3/20 0.38
PARP15 Q460N3 1/20 0.37
PARP14 Q460N5 1/20 0.37
PARP10 Q53GL7 1/20 0.37
TIPARP Q7Z3E1 1/20 0.37
PARP16 Q8N5Y8 1/20 0.37
PARP11 Q9NR21 1/20 0.37
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
MAP4K4 O95819 1/20 0.36
NSD3 Q9BZ95 1/20 0.36
SYK P43405 1/20 0.36
TYMS P04818 1/20 0.36
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL1912374 0.88 LOXL2 (0.56) LOXL2LOXAAK1IDO1LRRK2
SCHEMBL1912424 0.83 LOXL2 (0.53) LOXL2AAK1IDO1WNT3ANSD3
SCHEMBL1912413 0.81 WNT3A (0.52) WNT3ANSD3
Hydrochloric Acid SCHEMBL249352 0.80 WNT3A (0.51) WNT3ANSD3
SCHEMBL24767108 0.77 LOX (0.56) LOXL2LOXIDO1LRRK2WNT3A
SCHEMBL1912345 0.76 LOXL2 (0.59) LOXL2LOXAAK1IDO1NOTUM
SCHEMBL10259946 0.75 LOXL2 (0.67) LOXL2LOXAAK1IDO1NOTUM
SCHEMBL247564 0.72 TRPV1 (0.54) WNT3AGRIN2B
SCHEMBL248076 0.72 WNT3A (0.53) WNT3A
SCHEMBL8256658 0.72 LOXL2 (1.00) LOXL2LOXIDO1NOTUMSYK

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 6 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
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

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 LOXL2 1850/4885LOX 1892/4885AAK1 609/4885

“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.