SCHEMBL10257461

SCHEMBL10257461

O=C(NCc1cnc(-c2ccnc(C(F)(F)F)c2)c(F)c1)c1ccc(N2CCNCC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.44
KCNH2 Q12809 1/20 0.44
WNT3A P56704 4/20 0.43
HDAC1 Q13547 2/20 0.41
SLC2A1 P11166 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
SCD O00767 1/20 0.38
USP28 Q96RU2 1/20 0.37
USP25 Q9UHP3 1/20 0.37
KLKB1 P03952 1/20 0.36
MAP4K1 Q92918 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
PIM1 P11309 1/20 0.36
CDK6 Q00534 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
SCHEMBL246113 0.89 WNT3A (0.57) WNT3A
SCHEMBL252827 0.87 WNT3A (0.50) WNT3ASLC2A1SCD
SCHEMBL10256705 0.85 WNT3A (0.48) WNT3ASCD
SCHEMBL252826 0.84 CHRM4 (0.48) WNT3ASLC2A1
SCHEMBL1912418 0.84 HPGDS (0.45) HDAC2HDAC3KCNH2HDAC1HDAC6
SCHEMBL245851 0.82 WNT3A (0.56) WNT3A
SCHEMBL246614 0.79 WNT3A (0.53) KCNH2WNT3A
SCHEMBL248216 0.78 WNT3A (0.69) WNT3A
SCHEMBL248921 0.73 KCNH2 (0.42) KCNH2WNT3A
SCHEMBL248940 0.73 WNT3A (0.48) WNT3ASCD

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 HDAC2 1820/4885HDAC3 368/4885KCNH2 3957/4885

“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.