SCHEMBL248171

SCHEMBL248171

O=C(NCC1CN(C(=O)c2ccnc(F)c2)C1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.49
GABRA5 P31644 3/20 0.46
PRKAA2 P54646 1/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
ALDH1A1 P00352 1/20 0.41
WNT3A P56704 3/20 0.41
ROCK2 O75116 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
AKT1 P31749 1/20 0.41
PRKG1 Q13976 1/20 0.41
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
MLNR O43193 2/20 0.40
RIPK1 Q13546 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40

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 0.91 HPGDS (0.51) HPGDSGABRA5PRKAA2ABL1BCR
SCHEMBL1542860 0.82 GABRA5 (0.59) HPGDSGABRA5CYP2C9MAPK11MAPK14
SCHEMBL14802423 0.79 HPGDS (0.51) HPGDSGABRA5PRKAA2ALDH1A1ABL1
SCHEMBL16496399 0.79 HPGDS (0.55) HPGDSGABRA5WNT3AMLNRCYP2C9
SCHEMBL16496176 0.78 MAP4K4 (0.58) HPGDSGABRA5WNT3AROCK2CYP2C9
SCHEMBL16495981 0.77 HPGDS (0.51) HPGDSGABRA5ALDH1A1WNT3A
SCHEMBL16496207 0.76 HPGDS (0.53) HPGDSGABRA5WNT3AROCK2MLNR
SCHEMBL16496065 0.76 HPGDS (0.54) HPGDSGABRA5WNT3AROCK2MLNR
SCHEMBL16495455 0.76 HPGDS (0.54) HPGDSGABRA5ALDH1A1WNT3AMLNR
SCHEMBL16495938 0.75 HPGDS (0.51) HPGDSGABRA5ALDH1A1WNT3AMLNR

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 9 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
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
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.