SCHEMBL17570243

SCHEMBL17570243

Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)CCCn4cncn4)CC3)N2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.38
PKM P14618 2/20 0.35
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM1A O60341 1/20 0.32
ITGB3 P05106 4/20 0.31
ITGA2B P08514 4/20 0.31

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
SCHEMBL2142532 0.85 ALDH1A1 (0.38) ALDH1A1POLBPKMKDM4ERAB9A
SCHEMBL17570217 0.83 SCNN1A (0.35) POLBMEN1KMT2AITGB3ITGA2B
SCHEMBL17570241 0.83 KDM4E (0.30) ALDH1A1KDM4E
SCHEMBL17570235 0.78 TNKS (0.36) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL17570222 0.78 CYP2D6 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL17570225 0.77 VNN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL17570238 0.76 IDE (0.36) ITGB3ITGA2B
SCHEMBL12825074 0.76 MAPT (0.47) ALDH1A1POLBPKM
SCHEMBL12238771 0.76 ALDH1A1 (0.38) ALDH1A1POLBPKMKDM4ERAB9A
SCHEMBL17570240 0.76 HTR2A (0.31) 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 ALDH1A1 2199/4885POLB 4649/4885PKM 2647/4885

“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.