SCHEMBL12239014

SCHEMBL12239014

Nc1nc(N)c(C(=O)/N=C2\NCC3(CCN(C(=O)c4ccncc4)CC3)N2)nc1I

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.40
CYP2C9 P11712 9/20 0.39
CYP2C19 P33261 8/20 0.39
HSD17B10 Q99714 5/20 0.39
CYP2D6 P10635 12/20 0.38
CYP1A2 P05177 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
TSHR P16473 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
USP2 O75604 2/20 0.38
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL12239007 0.93 CRBN (0.38) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL12302393 0.93 ACACB (0.33) CYP3A4CYP2C9CYP2C19HSD17B10CYP2D6
SCHEMBL12238775 0.91 VNN1 (0.35)
SCHEMBL12239806 0.90 CHRM2 (0.41) CYP3A4CYP2C9CYP2C19MEN1KMT2A
SCHEMBL1684651 0.90 CYP2D6 (0.40) CYP3A4CYP2C9CYP2C19HSD17B10CYP2D6
SCHEMBL12239804 0.89 ACACB (0.37) CYP3A4CYP2C9HSD17B10CYP2D6CYP1A2
SCHEMBL12302535 0.89 CYP3A4 (0.43) CYP3A4CYP2C9HSD17B10CYP2D6CYP1A2
SCHEMBL12239196 0.88 CCR8 (0.36) CYP3A4CYP2C9HSD17B10CYP1A2USP2
SCHEMBL12239195 0.87 ACACB (0.35) CYP3A4CYP2D6CYP1A2MEN1KMT2A
SCHEMBL2143530 0.85 HSD17B10 (0.37) CYP3A4CYP2C9CYP2C19HSD17B10CYP2D6

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 CYP3A4 3246/4885CYP2C9 2108/4885CYP2C19 2528/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E CYP3A4 988/4885CYP2C9 335/4885CYP2C19 974/4885

“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.