SCHEMBL4227

SCHEMBL4227

Fc1cccc(-c2cc(Br)ccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.49
GRM5 P41594 2/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
MAPKAPK2 P49137 3/20 0.45
IDO1 P14902 2/20 0.45
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.43
MAP4K4 O95819 3/20 0.43
PIM1 P11309 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGDS O60760 1/20 0.42
CDC7 O00311 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKACA P17612 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL28129408 0.86 IDO1 (0.49) KMOGRM5BCHEACHEIDO1
SCHEMBL25118560 0.85 IDO1 (0.55) KMOGRM5BCHEACHEMAPKAPK2
SCHEMBL1925061 0.85 IDO1 (0.50) GRM5IDO1MEN1MAPTKMT2A
SCHEMBL28130409 0.83 MAPKAPK2 (0.55) KMOGRM5BCHEACHEMAPKAPK2
SCHEMBL31333922 0.79 MEN1 (0.43) MAPKAPK2KDM4EMEN1MAPTKMT2A
SCHEMBL31645963 0.79 ASIC3 (0.59) GRM5KDM4EMAPTMAP4K4PIM1
SCHEMBL4803 0.79 ASIC3 (0.59) GRM5KDM4EMAPTMAP4K4PIM1
SCHEMBL28574268 0.79 METAP2 (0.45) GRM5IDO1KDM4EMAPTALDH1A1
SCHEMBL842168 0.79 CYP2A6 (0.57) KMOGRM5BCHEACHEMAPKAPK2
SCHEMBL25492416 0.79 KMO (0.49) KMOGRM5BCHEACHEMAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
US-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2014-09-11 US disclosed
US-8778983-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
CN-102770415-A Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS INC 2012-11-07 CN disclosed
CN-102656168-A Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS INC 2012-09-05 CN disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483269-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
WO-2011041461-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
US-7381725-B2 Pyridazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2008-06-03 US disclosed
US-7381725-B2 Pyridazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2008-06-03 US disclosed
WO-2004014891-A1 PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 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 (4 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 KMO 1576/4885GRM5 319/4885BCHE 3600/4885
US-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 KMO 1576/4885GRM5 319/4885BCHE 3600/4885
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 KMO 1576/4885GRM5 319/4885BCHE 3600/4885
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR4 KMO 1576/4885GRM5 319/4885BCHE 3600/4885

“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.