SCHEMBL1912418

SCHEMBL1912418

O=C(NCc1cnc(-c2ccnc(C(F)(F)F)c2)c(F)c1)c1ccc(N2CCNCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.45
HDAC2 Q92769 6/20 0.44
HDAC3 O15379 4/20 0.44
HDAC1 Q13547 4/20 0.42
CHRM3 P20309 2/20 0.42
MAPK8 P45983 1/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL248940 0.89 WNT3A (0.48)
SCHEMBL254331 0.87 HPGD (0.42) HDAC1
SCHEMBL14817880 0.85 TBK1 (0.47) HDAC1HDAC6
SCHEMBL10257461 0.84 HDAC2 (0.44) HDAC2HDAC3HDAC1RAF1BRAF
SCHEMBL254330 0.83 HDAC1 (0.47) HDAC2HDAC3HDAC1
SCHEMBL1912406 0.78 HDAC2 (0.50) HDAC2HDAC3HDAC1
SCHEMBL1329883 0.73 ALDH1A1 (0.64) HPGDSMAPK8KCNH2
SCHEMBL246113 0.73 WNT3A (0.57)
SCHEMBL252827 0.71 WNT3A (0.50)
SCHEMBL247860 0.71 WNT3A (0.55) HPGDS

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
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
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 HPGDS 1641/4885HDAC2 1820/4885HDAC3 368/4885

“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.