SCHEMBL801411

SCHEMBL801411

Nc1nc(N)c(C(=O)/N=C2\NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCCC(=O)CCC(=O)N5CCCC5C(F)(F)F)c4)CC3)N2)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 15/20 0.37
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL781955 0.92 DDR1 (0.36) DDR1LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL29798955 0.92 DDR1 (0.36) DDR1LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL781957 0.92 DDR1 (0.36) DDR1LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL782106 0.86 DDR1 (0.35) DDR1
SCHEMBL29798823 0.86 DDR1 (0.35) DDR1
SCHEMBL782104 0.86 DDR1 (0.35) DDR1
SCHEMBL781952 0.84 ALDH1A1 (0.40) LMNAALDH1A1MAPK1SMN1; SMN2PKM
SCHEMBL781954 0.84 ALDH1A1 (0.40) LMNAALDH1A1MAPK1SMN1; SMN2PKM
SCHEMBL14692958 0.84 DDR1 (0.37) DDR1
SCHEMBL781526 0.82 ALDH1A1 (0.38) LMNAALDH1A1MAPK1SMN1; SMN2PKM

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-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 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-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A DDR1 873/4885LMNA 2950/4885ALDH1A1 2428/4885

“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.