SCHEMBL289558

SCHEMBL289558

COc1ccc2c(Cl)cc(-c3ccc(C(F)(F)F)cc3)nc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.46
IDO1 P14902 1/20 0.46
MGAM O43451 2/20 0.41
GAA P10253 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PDE5A O76074 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACP1 P24666 3/20 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
SCHEMBL289476 0.86 TDO2 (0.44) TDO2IDO1MGAMGAASI
SCHEMBL15433942 0.84 CYP19A1 (0.39) TDO2IDO1GAAKDM4ENPC1
SCHEMBL10015194 0.84 ENPP1 (0.40) TNKSTNKS2PARP2ENPP1PPARD
SCHEMBL288379 0.84 MEN1 (0.50) TDO2IDO1KDM4EALDH1A1SMN1; SMN2
SCHEMBL289422 0.81 KDM4E (0.52) GAAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL288188 0.80 RAC1 (0.49) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL289177 0.77 SMN1; SMN2 (0.43) KDM4ENPC1ALDH1A1NFKB1RAB9A
SCHEMBL289055 0.77 PDGFRB (0.39) NPC1RAB9ACYP19A1CYP11B1CYP11B2
SCHEMBL288637 0.77 F2 (0.40) NPC1ALDH1A1RAB9ACYP19A1CYP11B1
SCHEMBL298572 0.77 MAP3K11 (0.43) NPC1RAB9ACYP19A1CYP11B1CYP11B2

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 7 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-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 TDO2 2201/4885IDO1 987/4885MGAM 2341/4885

“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.