SCHEMBL3616158

SCHEMBL3616158

NC(=O)c1cc(-c2ccnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)[nH]c1N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.47
CHUK O15111 8/20 0.45
KDM1A O60341 1/20 0.45
HDAC1 Q13547 1/20 0.45
MAPK9 P45984 2/20 0.41
MAPK8 P45983 2/20 0.41
MAPK10 P53779 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLK4 O00444 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL3621225 0.87 IKBKB (0.47) IKBKBCHUKMAPK9MAPK10ALDH1A1
SCHEMBL3614895 0.85 IKBKB (0.41) IKBKBCHUK
SCHEMBL13408134 0.85 IKBKB (0.46) IKBKBCHUKKDM1AHDAC1MAPK9
SCHEMBL3618309 0.83 JAK2 (0.49) HDAC1ALDH1A1MAPTPIM1PIM3
Trifluoroacetic Acid SCHEMBL3618061 0.82 IKBKB (0.41) IKBKBCHUKKDM1AHDAC1KDM4E
SCHEMBL4286752 0.82 IKBKB (0.37) IKBKBCHUK
SCHEMBL3612276 0.82 MAP4K4 (0.49) IKBKBCHUKMAP4K4
SCHEMBL3612278 0.82 MAPKAPK2 (0.53) MAP4K4
SCHEMBL3621519 0.82 MEN1 (0.48) MAPK9MAPK10KDM4EMEN1ALDH1A1
SCHEMBL13408143 0.82 CCNC (0.41) MEN1ALDH1A1GAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 IKBKB 1761/4885CHUK 1366/4885KDM1A 2377/4885

“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.