SCHEMBL14802455

SCHEMBL14802455

NCc1cnc(-c2ccnc(C(F)F)c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.41
AAK1 Q2M2I8 12/20 0.38
WNT3A P56704 2/20 0.38
CIT O14578 2/20 0.36
GAK O14976 2/20 0.36
MKNK1 Q9BUB5 2/20 0.36
BMP2K Q9NSY1 2/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNA7 P36544 1/20 0.36
KCNH2 Q12809 1/20 0.36
MYLK2 Q9H1R3 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
TNIK Q9UKE5 1/20 0.36
ROCK2 O75116 1/20 0.35
CYP3A4 P08684 1/20 0.35
PRKG2 Q13237 1/20 0.35
PKN2 Q16513 1/20 0.35

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
SCHEMBL14802467 0.81 WNT3A (0.53) LOXL2AAK1WNT3A
SCHEMBL23396657 0.78 LOXL2 (0.41) LOXL2AAK1WNT3A
SCHEMBL1912374 0.78 LOXL2 (0.56) LOXL2AAK1WNT3A
SCHEMBL17372392 0.73 LOXL2 (0.57) LOXL2AAK1CITGAKMKNK1
SCHEMBL30398944 0.73 LOXL2 (0.57) LOXL2AAK1CITGAKMKNK1
SCHEMBL1912424 0.72 LOXL2 (0.53) LOXL2AAK1WNT3A
Hydrochloric Acid SCHEMBL15757016 0.72 LOXL2 (0.55) LOXL2AAK1CITGAKMKNK1
SCHEMBL1912413 0.68 WNT3A (0.52) WNT3A
SCHEMBL17981898 0.67 LOXL2 (0.45) LOXL2SLC6A2CHRNA7
Hydrochloric Acid SCHEMBL249352 0.67 WNT3A (0.51) WNT3A

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 4 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-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

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 1850/4885AAK1 609/4885WNT3A 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.