SCHEMBL17570239

SCHEMBL17570239

Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)CCCN4C(=O)C(c5cccnc5)c5ccccc54)CC3)N2)nc1Cl

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL17570242 0.91 GSK3B (0.34) ALDH1A1MAPK1
SCHEMBL18826117 0.88 ADAMTS5 (0.31) ADAMTS5
SCHEMBL17570238 0.80 IDE (0.36)
SCHEMBL2142348 0.79 PLAU (0.32) ALDH1A1MAPK1
SCHEMBL13353212 0.77
SCHEMBL17570240 0.77 HTR2A (0.31) ALDH1A1
SCHEMBL17570243 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL17570219 0.76 CHRM2 (0.43) ALDH1A1MAPK1
SCHEMBL17570217 0.75 SCNN1A (0.35)
SCHEMBL17570241 0.75 KDM4E (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2016-03-10 US disclosed
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2016-03-10 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-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G ADAMTS5 3574/4885ALDH1A1 2199/4885MAPK1 2556/4885

“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.