SCHEMBL289182

SCHEMBL289182

COc1ccccc1-c1cc(Cl)c2ccc(OC)c(Br)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.49
HSP90AB1 P08238 1/20 0.49
CRHR1 P34998 2/20 0.42
KMT2A Q03164 2/20 0.41
ADORA3 P0DMS8 4/20 0.41
ADORA1 P30542 2/20 0.41
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
DHFR P00374 1/20 0.40
ELANE P08246 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39

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
SCHEMBL10015196 0.90 HSP90AA1 (0.47) HSP90AA1HSP90AB1CRHR1KMT2AADORA3
SCHEMBL288379 0.85 MEN1 (0.50) KMT2AADORA1L3MBTL1CYP19A1CYP11B1
SCHEMBL288188 0.81 RAC1 (0.49) KMT2ANPC1RAB9AL3MBTL1CYP19A1
SCHEMBL289476 0.81 TDO2 (0.44) KMT2ATDP1L3MBTL1CYP19A1CYP11B1
SCHEMBL288555 0.79 CYP19A1 (0.42) HSP90AA1HSP90AB1CRHR1ENPP3ENPP1
SCHEMBL289177 0.79 SMN1; SMN2 (0.43) KMT2AADORA1NPC1RAB9AL3MBTL1
SCHEMBL3909868 0.76 HSP90AA1 (0.55) HSP90AA1HSP90AB1KMT2ANPSR1TDP1
SCHEMBL15433942 0.76 CYP19A1 (0.39) KMT2AADORA1NPC1RAB9AL3MBTL1
SCHEMBL289055 0.76 PDGFRB (0.39) KMT2AADORA3ADORA1ENPP1NPC1
SCHEMBL288637 0.76 F2 (0.40) KMT2AADORA3ADORA1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427434-B1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INT (DE) 2017-05-31 EP disclosed
EP-2427434-B1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INT (DE) 2017-05-31 EP disclosed
US-8633320-B2 Process for preparing bromo-substituted quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-8633320-B2 Process for preparing bromo-substituted quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
EP-2427434-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES Boehringer Ingelheim International GmbH (DE) 2012-03-14 EP disclosed
WO-2010129451-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 WO disclosed
WO-2010129451-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 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-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES HCCS, CYP3A7, ABL1 HSP90AA1 2624/4885HSP90AB1 2051/4885CRHR1 2214/4885

“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.