SCHEMBL17101033

SCHEMBL17101033

Nc1cc(C(=O)Nc2ccc(Br)nn2)ccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.43
PTGS1 P23219 3/20 0.38
WNT3A P56704 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 5/20 0.36
KCNH2 Q12809 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL17101056 0.86 SCN10A (0.43) SCN10APTGS1WNT3AMEN1KMT2A
SCHEMBL17101036 0.83 PTGS1 (0.42) SCN10APTGS1WNT3AMEN1KMT2A
SCHEMBL17101466 0.83 NPC1 (0.56) SCN10APTGS1WNT3AMEN1KMT2A
SCHEMBL17101044 0.82 POLB (0.45) MEN1KMT2AHTTSMN1; SMN2POLB
SCHEMBL17101063 0.82 SCN10A (0.47) SCN10AWNT3AABL1
SCHEMBL17101104 0.81 WNT3A (0.47) WNT3A
SCHEMBL16102184 0.79 WNT3A (0.47) WNT3AKDM4E
SCHEMBL18007163 0.78 TP53 (0.51) PTGS1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL16098520 0.76 WNT3A (0.61) SCN10APTGS1WNT3AMEN1KMT2A
SCHEMBL7149522 0.75 MEN1 (0.53) MEN1KMT2AHTTSMN1; SMN2POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114070-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-27 US disclosed
US-20170114070-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-27 US disclosed
EP-3119787-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS Bayer Pharma Aktiengesellschaft (DE) 2017-01-25 EP disclosed
WO-2015140196-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-24 WO disclosed
WO-2015140196-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-24 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-20170114070-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS WNT1, WNT3A, CTNNB1 SCN10A 3776/4885PTGS1 1840/4885WNT3A 2/4885

“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.