SCHEMBL14802423

SCHEMBL14802423

O=C(NCC1CCN(C(=O)c2cncc(F)c2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.51
GABRA5 P31644 1/20 0.47
PRKAA2 P54646 1/20 0.46
GSK3B P49841 2/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 1/20 0.44
USP30 Q70CQ3 1/20 0.44
MAP4K4 O95819 2/20 0.44
EGLN1 Q9GZT9 1/20 0.44
CYP2C9 P11712 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2C P28335 1/20 0.41
MCHR1 Q99705 1/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 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
SCHEMBL246322 0.88 HPGDS (0.51) HPGDSGABRA5PRKAA2GSK3BACHE
SCHEMBL16496399 0.86 HPGDS (0.55) HPGDSGABRA5GSK3BMAP4K4CYP2C9
SCHEMBL1542860 0.85 GABRA5 (0.59) HPGDSGABRA5MAP4K4CYP2C9MAPK11
SCHEMBL16496176 0.84 MAP4K4 (0.58) HPGDSGABRA5MAP4K4EGLN1CYP2C9
SCHEMBL16496065 0.82 HPGDS (0.54) HPGDSGABRA5MAP4K4CYP2C9MAPK11
SCHEMBL16495629 0.80 HPGDS (0.56) HPGDSGABRA5GSK3BMAP4K4HTR7
SCHEMBL16496207 0.79 HPGDS (0.53) HPGDSGABRA5USP30MAP4K4CYP2C9
SCHEMBL248171 0.79 HPGDS (0.49) HPGDSGABRA5PRKAA2ALDH1A1CYP2C9
SCHEMBL1543132 0.77 GABRA5 (0.56) HPGDSGABRA5CYP2C9MAPK11MAPK14
SCHEMBL16495498 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 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 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.