SCHEMBL12239196

SCHEMBL12239196

Nc1nc(N)c(C(=O)/N=C2\NCC3(CCN(C(=O)c4ccncn4)CC3)N2)nc1I

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 6/20 0.36
KCNH2 Q12809 6/20 0.36
NAMPT P43490 2/20 0.35
PLAU P00749 2/20 0.32
GPR6 P46095 1/20 0.31
USP2 O75604 1/20 0.31
CYP2C9 P11712 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CNR2 P34972 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
SCHEMBL1684576 0.90 CCR8 (0.36) CCR8KCNH2NAMPTPLAUGPR6
SCHEMBL12238997 0.89 L3MBTL1 (0.42) CCR8KCNH2NAMPTCYP2C9HSD17B10
SCHEMBL12239014 0.88 CYP3A4 (0.40) USP2CYP2C9HSD17B10CYP1A2CYP3A4
SCHEMBL12238859 0.85 PLAU (0.32) PLAU
SCHEMBL12239015 0.85 NAMPT (0.34) NAMPTPLAU
SCHEMBL12238775 0.85 VNN1 (0.35) PLAU
SCHEMBL12239007 0.84 CRBN (0.38) USP2CYP2C9CYP1A2CYP3A4
SCHEMBL12302393 0.83 ACACB (0.33) KCNH2PLAUCYP2C9HSD17B10CYP1A2
SCHEMBL12239806 0.82 CHRM2 (0.41) NAMPTCYP2C9CYP3A4
SCHEMBL12238774 0.82 NAMPT (0.34) NAMPTPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039472-B2 Pyrazine-2-carboxamide derivatives to treat diseases mediated by blockade of the epithelial sodium channel NOVARTIS AG (CH) 2011-10-18 US disclosed
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2011-09-29 US disclosed
US-20100130506-A1 Organic Compounds NOVARTIS AG 2010-05-27 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 (2 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-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives SCNN1B, SCNN1A, SCNN1G CCR8 3041/4885KCNH2 20/4885NAMPT 3224/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E CCR8 1001/4885KCNH2 31/4885NAMPT 4474/4885

“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.