SCHEMBL3565819

SCHEMBL3565819

CN(CCNCc1cccc(Br)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
KDM4E B2RXH2 4/20 0.50
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
PTGES O14684 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TAAR1 Q96RJ0 2/20 0.45
RIPK1 Q13546 1/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.42
MTOR P42345 1/20 0.41
MAPT P10636 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL14535359 0.82 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19KDM4ETMEM97
SCHEMBL16269355 0.82 TAAR1 (0.62) CYP1A2CYP2D6CYP2C19KDM4ESIGMAR1
SCHEMBL18316992 0.81 TAAR1 (0.65) KDM4ETMEM97SIGMAR1PTGESKMT2A
SCHEMBL31393518 0.78 FFAR1 (0.59) CYP1A2CYP2D6CYP2C19KDM4EFFAR1
SCHEMBL2634610 0.77 RIPK1 (0.64) KDM4ETMEM97SIGMAR1PTGESKMT2A
SCHEMBL6364808 0.77 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19KDM4ESIGMAR1
SCHEMBL31393609 0.74 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19KDM4EKMT2A
SCHEMBL19970338 0.74 KMT2A (0.50) KDM4ESIGMAR1KMT2AMEN1TAAR1
SCHEMBL16619429 0.74 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19KDM4ETAAR1
SCHEMBL1750050 0.74 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19KMT2AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904504-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2014-03-19 EP disclosed
EP-1781664-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2013-09-04 EP disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 US disclosed
EP-1904504-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING Methylgene, Inc. (CA) 2008-04-02 EP disclosed
WO-2007054831-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2007-05-18 WO disclosed
EP-1781664-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING Methylgene, Inc. (CA) 2007-05-09 EP disclosed
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. 2006-12-21 US disclosed
US-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. (CA) 2006-04-06 US disclosed
WO-2006010264-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2006-02-02 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-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CYP1A2 4222/4885CYP2D6 4501/4885CYP2C19 4590/4885
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, FLT1 CYP1A2 4222/4885CYP2D6 4501/4885CYP2C19 4590/4885
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 CYP1A2 4222/4885CYP2D6 4501/4885CYP2C19 4590/4885
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling HGF, MET, FLT1 CYP1A2 4152/4885CYP2D6 4436/4885CYP2C19 4595/4885

“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.