SCHEMBL6545883

SCHEMBL6545883

COC(=O)c1cc(Oc2ccc(N)c3ccccc23)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
EP300 Q09472 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
PYGL P06737 2/20 0.42
PYGM P11217 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
PDE5A O76074 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GABRA1 P14867 1/20 0.41
HPGD P15428 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41

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
SCHEMBL29397198 0.88 KDR (0.51) AXLMAPK14SRCSYK
SCHEMBL19878538 0.88 KDR (0.51) AXLMAPK14SRCSYK
SCHEMBL14289968 0.82 PLAU (0.39) IDO1EP300KAT8PYGLPYGM
SCHEMBL14289997 0.82 ALDH1A1 (0.47) IDO1EP300KAT8PYGLPYGM
SCHEMBL29186391 0.82 MAPT (0.47) PYGLPYGMALDH1A1KDM4EMAPT
SCHEMBL28705005 0.81 MAPK14 (0.51) PDGFRAMAPK14SRCSYKGSK3A
SCHEMBL13331029 0.79 GCK (0.49) MAPK14SRCSYKGSK3AGCK
SCHEMBL2554803 0.79 GCK (0.65) MAPK14SRCSYKGSK3AGCK
SCHEMBL9609812 0.79 IDO1 (0.47) IDO1EP300KAT8ALDH1A1MAPT
SCHEMBL535852 0.78 MAPK14 (0.55) ALDH1A1PKMMAPK14SRCSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6765009-B2 N-(5-TERT-BUTYL-3-(3-(4-((2-DIMETHYLAMINOMETHYL-PYRIDIN-4-YL) -PIPERAZIN-1-YL-METHYL) NAPHTHALEN-1-YL)UREIDO)-2-METHOXYPHENYL) METHANESULFONAMIDE FOR EXAMPLE; CYTOKINE INHIBITORS FOR TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-07-20 US disclosed
EP-1381592-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 EP disclosed
US-20030083333-A1 1,4-Disubstituted benzo-fused compounds BOEHRINGER INTELHEIM PHARMACEUTICALS, INC. 2003-05-01 US disclosed
WO-2002083628-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 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-20030083333-A1 1,4-Disubstituted benzo-fused compounds RELA, NFKBIA, NQO1 IDO1 1535/4885EP300 137/4885KAT8 2809/4885

“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.