SCHEMBL289055

SCHEMBL289055

COc1ccc2c(Cl)cc(-c3ccsc3)nc2c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.39
NPC1 O15118 2/20 0.39
PDGFRA P16234 2/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA1 P30542 4/20 0.37
ADORA2A P29274 3/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PDE10A Q9Y233 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 2/20 0.36
GAK O14976 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.35
ENPP1 P22413 1/20 0.34
CYP2A6 P11509 1/20 0.34
CA12 O43570 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
SCHEMBL10015199 0.84 ADORA1 (0.39) PDGFRBNPC1PDGFRAMAPTRAB9A
SCHEMBL288379 0.82 MEN1 (0.50) MAPTKMT2AL3MBTL1ADORA1ADORA2A
SCHEMBL289476 0.80 TDO2 (0.44) PDGFRBPDGFRAMAPTKMT2AL3MBTL1
SCHEMBL288637 0.78 F2 (0.40) PDGFRBNPC1RAB9AKMT2AADORA1
SCHEMBL15433942 0.78 CYP19A1 (0.39) NPC1MAPTRAB9AKMT2AL3MBTL1
SCHEMBL288188 0.78 RAC1 (0.49) PDGFRBNPC1MAPTRAB9AKMT2A
SCHEMBL289177 0.78 SMN1; SMN2 (0.43) NPC1MAPTRAB9AKMT2AL3MBTL1
SCHEMBL289558 0.77 TDO2 (0.46) NPC1RAB9AKMT2AL3MBTL1CYP19A1
SCHEMBL289422 0.77 KDM4E (0.52) NPC1MAPTRAB9AKMT2AADORA1
SCHEMBL298911 0.76 PLAU (0.44) MAPT

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 9 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
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 PDGFRB 530/4885NPC1 298/4885PDGFRA 445/4885

“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.