SCHEMBL1879174

SCHEMBL1879174

BrCc1cc2ccccc2nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.56
ERBB2 P04626 1/20 0.49
ALDH1A1 P00352 4/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ACHE P22303 1/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 5/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
PIK3CD O00329 1/20 0.41
AKT1 P31749 1/20 0.40
PSMB5 P28074 1/20 0.40
ATM Q13315 1/20 0.40
TLR9 Q9NR96 1/20 0.40

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
Bromide SCHEMBL3657824 0.97 PDE10A (0.53) PDE10AERBB2ALDH1A1GLAMAPT
SCHEMBL3657827 0.95 PDE10A (0.51) PDE10AERBB2ALDH1A1GLAMAPT
SCHEMBL6690711 0.82 ERBB2 (0.43) PDE10AERBB2ALDH1A1MAPTKMT2A
SCHEMBL1891795 0.82 KDM4E (0.57) PDE10AERBB2ALDH1A1MAPTHPGD
SCHEMBL1884703 0.82 KDM4E (0.57) PDE10AERBB2ALDH1A1MAPTHPGD
SCHEMBL1882100 0.82 PDE10A (0.56) PDE10AALDH1A1GLAMAPTHPGD
SCHEMBL20081370 0.82 PDE10A (0.61) PDE10AALDH1A1GLAMAPTHPGD
SCHEMBL28181072 0.82 PDE10A (0.56) PDE10AALDH1A1GLAMAPTHPGD
SCHEMBL13883936 0.81 PDE10A (0.60) PDE10AERBB2ALDH1A1GLAMAPT
SCHEMBL4915121 0.79 PDE10A (0.53) PDE10AALDH1A1GLAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399483-B2 Quinoxaline and quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2013-03-19 US disclosed
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA, S.A. (BE) 2011-05-05 US disclosed
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 US disclosed
EP-1888530-A2 QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2008-02-20 EP disclosed
WO-2006120478-A2 QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 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-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists TACR2, TACR3, NPY2R PDE10A 2016/4885ERBB2 1539/4885ALDH1A1 2836/4885
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS PDXK, PDPK1, PIKFYVE PDE10A 2028/4885ERBB2 1138/4885ALDH1A1 4276/4885

“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.