SCHEMBL1912409

SCHEMBL1912409

Cc1cc(-c2ccc(CN)cc2F)ccn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
LOXL2 Q9Y4K0 6/20 0.45
WNT3A P56704 4/20 0.43
NSD2 O96028 1/20 0.42
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
AAK1 Q2M2I8 2/20 0.38
LOX P28300 3/20 0.38
MTOR P42345 2/20 0.38
LOXL3 P58215 1/20 0.38
DYRK1A Q13627 1/20 0.37

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
SCHEMBL15353584 0.84 WNT3A (0.46) LOXL2WNT3ANSD2CCNCCDK8
SCHEMBL6915992 0.80 PDE3B (0.48) PDE3BPDE3ACCNCCDK8AAK1
SCHEMBL24767287 0.79 CCNC (0.37) LOXL2WNT3ACCNCCDK8LOX
SCHEMBL14802467 0.79 WNT3A (0.53) LOXL2WNT3AAAK1
SCHEMBL24767258 0.78 WNT3A (0.54) WNT3ANSD2AAK1MTOR
SCHEMBL1912303 0.77 DYRK1A (0.56) WNT3ADYRK1A
SCHEMBL668247 0.74
SCHEMBL153686 0.73 EGLN2 (0.48) PDE3BPDE3AMTOR
Hydrochloric Acid SCHEMBL5083664 0.73 LOXL2 (0.55) LOXL2LOXLOXL3
SCHEMBL24767561 0.72 AAK1 (0.48) PDE3BPDE3ALOXL2WNT3ACCNC

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 PDE3B 2399/4885PDE3A 2858/4885LOXL2 1850/4885

“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.