SCHEMBL3489583

SCHEMBL3489583

Cc1c(Br)ccc2c1NC(=O)CO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.55
MMP12 P39900 1/20 0.49
PARP1 P09874 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MAPT P10636 1/20 0.35
MAP4K1 Q92918 1/20 0.35
PKM P14618 3/20 0.35
GRM5 P41594 1/20 0.35
LMNA P02545 1/20 0.35
PGR P06401 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL17348473 0.83 NR3C2 (0.57) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1
SCHEMBL6432532 0.81 NR3C2 (0.56) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1
SCHEMBL24776150 0.81 NR3C2 (0.52) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1
SCHEMBL3488764 0.80 NR3C2 (0.42) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1
SCHEMBL8182873 0.80 NR3C2 (0.42) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1
SCHEMBL15052400 0.80 NR3C2 (0.55) NR3C2MMP12PARP1ALDH1A1MTNR1A
SCHEMBL26654572 0.80 NR3C2 (0.42) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1
SCHEMBL15052476 0.78 NR3C2 (0.52) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1
SCHEMBL22803133 0.78 NR3C2 (0.52) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1
SCHEMBL17344745 0.78 NR3C2 (0.52) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022262736-A1 BENZOXAZINONE DERIVATIVES 正大天晴药业集团股份有限公司 2022-12-22 WO disclosed
EP-2794600-B1 2,3-Dihydro-benzo[1,4]oxazine derivatives and related compounds as phosphoinositide-3 kinase (PI3K) inhibitors for the treatment of e.g. rheumatoid arthritis NOVARTIS AG (CH) 2017-12-06 EP disclosed
EP-2794600-B1 2,3-Dihydro-benzo[1,4]oxazine derivatives and related compounds as phosphoinositide-3 kinase (PI3K) inhibitors for the treatment of e.g. rheumatoid arthritis NOVARTIS AG (CH) 2017-12-06 EP disclosed
US-9763952-B2 Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9763952-B2 Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9763952-B2 Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives NOVARTIS AG (CH) 2017-09-19 US disclosed
EP-2731436-B1 2-(PYRROLO[2,3-B]PYRIDINE-5-YL)-2-(T-BUTOXY)-ACETIC ACID DERIVATIVES AS HIV REPLICATION INHIBITORS FOR THE TREATMENT OF AIDS VIIV HEALTHCARE UK LTD (GB) 2017-03-08 EP disclosed
EP-2731436-B1 2-(PYRROLO[2,3-B]PYRIDINE-5-YL)-2-(T-BUTOXY)-ACETIC ACID DERIVATIVES AS HIV REPLICATION INHIBITORS FOR THE TREATMENT OF AIDS VIIV HEALTHCARE UK LTD (GB) 2017-03-08 EP disclosed
US-9539260-B2 Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives NOVARTIS AG (CH) 2017-01-10 US disclosed
US-9539260-B2 Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives NOVARTIS AG (CH) 2017-01-10 US disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 WO disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
WO-2009062285-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062289-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062288-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062308-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 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 (2 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-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 NR3C2 3665/4885MMP12 3608/4885PARP1 190/4885
US-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 NR3C2 1/4885MMP12 1824/4885PARP1 4374/4885

“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.