SCHEMBL288743

SCHEMBL288743

COc1ccc2c(Cl)cc(-c3c(C)noc3C)nc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
FTO Q9C0B1 2/20 0.40
BRD4 O60885 10/20 0.39
BRD2 P25440 7/20 0.39
BRD3 Q15059 7/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
EP300 Q09472 4/20 0.36
CREBBP Q92793 1/20 0.36
ERBB2 P04626 1/20 0.36
EPHA2 P29317 1/20 0.36
KDR P35968 1/20 0.36
EPHB4 P54760 1/20 0.36
USP2 O75604 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL10015202 0.85 TSHR (0.42) TSHRFTOBRD4BRD2BRD3
SCHEMBL288379 0.75 MEN1 (0.50) TSHRLMNAUSP2HSD17B10
SCHEMBL289182 0.74 HSP90AA1 (0.49) TSHRHSD17B10
SCHEMBL288555 0.74 CYP19A1 (0.42) LMNA
SCHEMBL288637 0.74 F2 (0.40) TSHRBRD4CYP1A2CYP3A4CYP2D6
SCHEMBL289177 0.74 SMN1; SMN2 (0.43) TSHRLMNAHSD17B10
SCHEMBL289476 0.73 TDO2 (0.44)
SCHEMBL18895167 0.72 NT5E (0.46) FTOBRD4BRD2CYP1A2CYP3A4
SCHEMBL15433942 0.71 CYP19A1 (0.39) TSHRLMNACLK4
SCHEMBL288188 0.71 RAC1 (0.49) TSHRCYP1A2LMNAKDRUSP2

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 TSHR 1906/4885FTO 2608/4885BRD4 148/4885

“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.