SCHEMBL760183

SCHEMBL760183

O=C1c2ccccc2C(=O)c2c1ccnc2F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.48
MAOB P27338 2/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CDC25B P30305 1/20 0.48
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MAPK1 P28482 3/20 0.47
EGFR P00533 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
NSD2 O96028 1/20 0.47
LMNA P02545 1/20 0.47
ADORA2A P29274 2/20 0.47
TTR P02766 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
BCL2 P10415 3/20 0.44
MCL1 Q07820 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 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
SCHEMBL7534577 0.74 MAOA (0.47) MAOAMAOBMEN1KMT2ACDC25B
SCHEMBL760904 0.72 ADORA2A (0.57) MAOAMAOBMEN1KMT2ACDC25B
SCHEMBL11883957 0.72 ADORA2A (0.52) MAOAMAOBMEN1KMT2ACDC25B
SCHEMBL5010110 0.71 MEN1 (0.67) MAOAMAOBMEN1KMT2ACDC25B
SCHEMBL9335085 0.71 MEN1 (0.67) MAOAMAOBMEN1KMT2ACDC25B
SCHEMBL29836726 0.71 MEN1 (0.67) MAOAMAOBMEN1KMT2ACDC25B
SCHEMBL4411800 0.71 ADORA2A (0.50) MAOAMAOBMEN1KMT2ACDC25B
SCHEMBL4354118 0.70 ADORA2A (0.59) MAOAMAOBMEN1KMT2ACDC25B
Anthraquinone SCHEMBL28117181 0.69 MEN1 (0.86) MAOAMAOBMEN1KMT2ACDC25B
Anthraquinone SCHEMBL27935127 0.69 MEN1 (0.86) MAOAMAOBMEN1KMT2ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
EP-1954668-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS Brystol-Myers Squibb Company (US) 2008-08-13 EP disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 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 (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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 MAOA 2017/4885MAOB 880/4885MEN1 3823/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 MAOA 2017/4885MAOB 880/4885MEN1 3823/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 MAOA 2017/4885MAOB 880/4885MEN1 3823/4885

“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.