SCHEMBL3621519

SCHEMBL3621519

NC(=O)c1cc(-c2ccnc(Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2)[nH]c1N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
PRKD1 Q15139 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
PDE4B Q07343 1/20 0.44
ERBB2 P04626 1/20 0.44
MAPK9 P45984 3/20 0.44
PLK4 O00444 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
PRKCG P05129 1/20 0.44
CSF1R P07333 1/20 0.44
PIM1 P11309 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL4007588 0.94 MEN1 (0.48) MEN1KMT2AATMPOLBPKM
SCHEMBL3621225 0.91 IKBKB (0.47) PRKD1PRKD2MAPK9MAPK10ALDH1A1
SCHEMBL14282905 0.90 MEN1 (0.45) MEN1KMT2AATMPOLBPKM
SCHEMBL13442268 0.87 MEN1 (0.43) MEN1KMT2AATMPOLBPKM
SCHEMBL13408180 0.87 IKBKB (0.44) MEN1KMT2AATMPOLBPKM
Trifluoroacetic Acid SCHEMBL3624358 0.84 KMT2A (0.42) MEN1KMT2AATMPOLBPKM
SCHEMBL3616158 0.82 IKBKB (0.47) MEN1KMT2AATMMAPK9PLK4
SCHEMBL13442607 0.77 MAPK10 (0.45) AURKBMAPK10
SCHEMBL13408178 0.77 IKBKB (0.46) PRKD1PRKD2PIM1CDK2MAPK10
Trifluoroacetic Acid SCHEMBL3614134 0.75 IKBKB (0.41) PRKD1PRKD2CDK2MAPK10GAA

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 MEN1 420/4885KMT2A 2993/4885ATM 3752/4885

“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.