SCHEMBL10258532

SCHEMBL10258532

O=C(NCc1ccc(-c2ccnc(C(F)(F)F)c2)nc1)c1ccc(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM1A O60341 2/20 0.40
HDAC1 Q13547 2/20 0.40
ELANE P08246 6/20 0.39
TRPV3 Q8NET8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
IDO1 P14902 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37

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
SCHEMBL1912371 0.87 WNT3A (0.45) CYP1A2CYP2C9HPGDCYP2C19NPSR1
SCHEMBL248044 0.85 WNT3A (0.49) PTGESCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL14802464 0.85 WDR5 (0.48) SMN1; SMN2
SCHEMBL247582 0.84 WNT3A (0.50)
SCHEMBL249252 0.82 TACR1 (0.41) PTGESELANEHTT
SCHEMBL248781 0.82 WNT3A (0.41) PTGESELANE
SCHEMBL248144 0.82 TRPV1 (0.52) PTGESELANEHTT
SCHEMBL248091 0.81 HDAC4 (0.41) PTGESELANETRPV3
SCHEMBL248085 0.78 KLKB1 (0.45) PTGESHDAC1ELANESMN1; SMN2HTT
SCHEMBL17243393 0.78 WNT3A (0.48) CYP1A2CYP2C9HPGDCYP2C19NPSR1

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 PTGES 3119/4885CYP1A2 1980/4885CYP2C9 3319/4885

“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.