SCHEMBL246322

SCHEMBL246322

O=C(NCC1CCN(C(=O)c2ccnc(F)c2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.51
GABRA5 P31644 1/20 0.49
PRKAA2 P54646 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
MAP4K4 O95819 2/20 0.43
ACHE P22303 1/20 0.42
GSK3B P49841 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
AR P10275 1/20 0.42
HTR2C P28335 1/20 0.41
MCHR1 Q99705 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
SCHEMBL248171 0.91 HPGDS (0.49) HPGDSGABRA5PRKAA2ABL1BCR
SCHEMBL14802423 0.88 HPGDS (0.51) HPGDSGABRA5PRKAA2EGLN1ABL1
SCHEMBL16496399 0.86 HPGDS (0.55) HPGDSGABRA5MAP4K4GSK3BCYP2C9
SCHEMBL1542860 0.85 GABRA5 (0.59) HPGDSGABRA5MAP4K4CYP2C9MAPK11
SCHEMBL16496176 0.84 MAP4K4 (0.58) HPGDSGABRA5EGLN1MAP4K4CYP2C9
SCHEMBL16496065 0.82 HPGDS (0.54) HPGDSGABRA5MAP4K4CYP2C9MAPK11
SCHEMBL16495629 0.80 HPGDS (0.56) HPGDSGABRA5MAP4K4GSK3B
SCHEMBL16496207 0.79 HPGDS (0.53) HPGDSGABRA5MAP4K4CYP2C9MAPK11
SCHEMBL16495981 0.77 HPGDS (0.51) HPGDSGABRA5HTR2CMCHR1
SCHEMBL16495495 0.77 GABRA5 (0.52) HPGDSGABRA5MAP4K4CYP2C9MAPK11

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 11 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-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
EP-2588453-B1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2015-04-01 EP disclosed
EP-2588453-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 2013-05-08 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
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
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 1641/4885GABRA5 4426/4885PRKAA2 1317/4885

“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.