SCHEMBL5255404

SCHEMBL5255404

CN(CCO)c1ccc(Br)cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.53
POLB P06746 1/20 0.50
EGFR P00533 3/20 0.46
HCAR3 P49019 1/20 0.44
TRPV1 Q8NER1 6/20 0.42
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SSTR2 P30874 1/20 0.37
SSTR4 P31391 1/20 0.37
DGAT1 O75907 1/20 0.36
ALOX5AP P20292 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
SCHEMBL5237488 0.89 GBA1 (0.60) GBA1POLBEGFRHCAR3NPC1
SCHEMBL21841697 0.87 GBA1 (0.47) GBA1POLBEGFRHCAR3TRPV1
SCHEMBL1432671 0.84 GBA1 (0.59) GBA1EGFRHCAR3NPC1ALDH1A1
SCHEMBL15205756 0.81 GBA1 (0.61) GBA1EGFRHCAR3NPC1ALDH1A1
SCHEMBL31217157 0.81 GBA1 (0.56) GBA1EGFRHCAR3NPC1RAB9A
SCHEMBL2256335 0.81 GBA1 (0.51) GBA1EGFRHCAR3SSTR2SSTR4
SCHEMBL22085994 0.80 GBA1 (0.47) GBA1POLBEGFRHCAR3TRPV1
SCHEMBL9906944 0.80 POLB (0.51) POLBEGFRHCAR3TRPV1DGAT1
SCHEMBL1433090 0.79 GBA1 (0.69) GBA1HCAR3TRPV1NPC1ALDH1A1
SCHEMBL10653784 0.79 GBA1 (0.57) GBA1POLBEGFRHCAR3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230055250-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-23 US disclosed
WO-2020115481-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-06-11 WO disclosed
EP-1268431-B1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-08-29 EP disclosed
US-20030125358-A1 Pharmaceutical compositions containing thiazolidinedione derivatives and process for their preparation SMITHKLINE BEECHAM P.L.C. 2003-07-03 US disclosed
EP-1202991-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING THIAZOLIDINEDIONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2002-05-08 EP disclosed
WO-2001012628-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING THIAZOLIDINEDIONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM P.L.C. (GB) 2001-02-22 WO disclosed
EP-0605524-A1 ANTIBACTERIAL, ANTIMYCOPLASMAL COMPOUNDS RELATED TO MUPIROCIN SMITHKLINE BEECHAM PLC (GB) 1994-07-13 EP disclosed
WO-1993006118-A1 ANTIBACTERIAL, ANTIMYCOPLASMAL COMPOUNDS RELATED TO MUPIROCIN SMITHKLINE BEECHAM PLC (GB) 1993-04-01 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-20230055250-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K5, MAP4K1 GBA1 3078/4885POLB 2996/4885EGFR 1053/4885
US-20030125358-A1 Pharmaceutical compositions containing thiazolidinedione derivatives and process for their preparation TNNT2, FABP3, TNNI3 GBA1 1718/4885POLB 3836/4885EGFR 3521/4885

“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.