SCHEMBL4044958

SCHEMBL4044958

O=C(O)C1=Cc2ccccc2Nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
GAA P10253 2/20 0.42
LRRK2 Q5S007 2/20 0.41
PDGFRA P16234 1/20 0.41
FER P16591 1/20 0.41
LTK P29376 1/20 0.41
CDK8 P49336 1/20 0.41
ACVR1 Q04771 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
LMNA P02545 3/20 0.40
PIM1 P11309 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL8513190 0.84 MAPT (0.41) MAPTGAALRRK2PDGFRAFER
SCHEMBL30895284 0.78 MAOA (0.50) MAOAMAOBLMNAALDH1A1MEN1
SCHEMBL503745 0.78 MAOA (0.50) MAOAMAOBLMNAALDH1A1MEN1
Hydrochloric Acid SCHEMBL26614007 0.77 MAOA (0.48) MAOAMAOBLMNAALDH1A1MEN1
SCHEMBL27989619 0.76 MAOA (0.42) MAPTGAAMAOAMAOBLMNA
SCHEMBL30857809 0.76 MAOA (0.39) MAPTGAAMAOAMAOBLMNA
Ethylene SCHEMBL28442445 0.75 MAOA (0.47) MAOAMAOBLMNAALDH1A1MEN1
SCHEMBL29056057 0.75 MAOA (0.38) MAPTGAAMAOAMAOBLMNA
Ethylene Glycol SCHEMBL8419054 0.72 MAOA (0.49) MAOAMAOBLMNAALDH1A1KMT2A
SCHEMBL13068587 0.69 MAPT (0.48) MAPTGAALRRK2PDGFRAFER

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-7612054-B2 Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
EP-1651592-B1 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2009-04-29 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-05-17 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 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 (3 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 MAPT 751/4885GAA 2905/4885LRRK2 356/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS MAPT 4825/4885GAA 4567/4885LRRK2 410/4885
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE MAPT 69/4885GAA 2316/4885LRRK2 1842/4885

“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.