SCHEMBL12239807

SCHEMBL12239807

Nc1nc(N)c(C(=O)/N=C2\NCC3(CCN(C(=O)C4CCCCC4)CC3)N2)nc1I

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CCR5 P51681 1/20 0.31
NAMPT P43490 1/20 0.31
TNK2 Q07912 1/20 0.30
HSD11B1 P28845 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
SCHEMBL1684786 0.91 KMT2A (0.37) PLAUALDH1A1TSHRKMT2AMEN1
SCHEMBL13640075 0.90 ALDH1A1 (0.33) ALDH1A1TSHRKMT2AMEN1CCR5
SCHEMBL10189567 0.85 ALDH1A1 (0.38) PLAUALDH1A1TSHRKMT2AMEN1
SCHEMBL2143658 0.85 ALDH1A1 (0.38) PLAUALDH1A1TSHRKMT2AMEN1
SCHEMBL12825104 0.85 ALDH1A1 (0.38) PLAUALDH1A1TSHRKMT2AMEN1
SCHEMBL12239062 0.84 PLAU (0.38) PLAUALDH1A1TSHRKMT2AMEN1
SCHEMBL12239199 0.83 PLAU (0.35) PLAU
SCHEMBL2143674 0.82 ALDH1A1 (0.35) PLAUALDH1A1TSHRKMT2AMEN1
SCHEMBL12239065 0.82 PLAU (0.39) PLAU
SCHEMBL12238996 0.82 PLAU (0.36) PLAU

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-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-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 (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-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E PLAU 4443/4885ALDH1A1 1317/4885TSHR 875/4885

“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.