SCHEMBL2078299

SCHEMBL2078299

COc1nc2c(c(O)c1Br)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.39
MAPT P10636 3/20 0.39
ESR2 Q92731 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
GRM5 P41594 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 1/20 0.35
TLR9 Q9NR96 1/20 0.35
SPR P35270 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL4015347 0.76 MAPT (0.45) MAPTESR2USP2SMN1; SMN2GRM5
SCHEMBL2081234 0.75 ESR2 (0.43) ADORA1MAPTESR2USP2SMN1; SMN2
SCHEMBL2078435 0.74 ADORA1 (0.53) ADORA1MAPTSMN1; SMN2KDM4EGRM5
SCHEMBL25072575 0.73 MAPT (0.52) ADORA1MAPTESR2KDM4EPARP1
SCHEMBL30278525 0.73 MAPT (0.52) ADORA1MAPTESR2KDM4EPARP1
SCHEMBL24535151 0.72 PARP1 (0.45) ADORA1MAPTESR2KDM4EPARP1
SCHEMBL2080219 0.72 EHMT2 (0.45) ADORA1MAPTESR2KDM4EEHMT2
SCHEMBL2078286 0.72 USP2 (0.39) ADORA1MAPTESR2USP2SMN1; SMN2
SCHEMBL1623383 0.71 POLB (0.43) ADORA1MAPTESR2USP2SMN1; SMN2
SCHEMBL3109695 0.71 MAPT (0.44) ADORA1MAPTESR2KDM4EPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897595-B2 Pyridoazepine derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-01 US claimed
WO-2007140213-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 WO claimed
US-20070281918-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 US claimed
US-7897595-B2 Pyridoazepine derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-01 US disclosed
US-7897595-B2 Pyridoazepine derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-01 US disclosed
US-7897595-B2 Pyridoazepine derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-01 US disclosed
WO-2007140213-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 WO disclosed
WO-2007140213-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 WO disclosed
US-20070281918-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 US disclosed
US-20070281918-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 US disclosed
US-20070281918-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 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-20070281918-A1 PYRIDOAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A ADORA1 91/4885MAPT 1654/4885ESR2 2421/4885

“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.