SCHEMBL505944

SCHEMBL505944

Fc1cccc(C2CCc3oc(-c4ccccn4)nc3C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.44
SCD5 Q86SK9 1/20 0.42
KCNH2 Q12809 2/20 0.41
JAK2 O60674 1/20 0.38
NTRK1 P04629 1/20 0.38
INSR P06213 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
ROS1 P08922 1/20 0.38
FGR P09769 1/20 0.38
KIT P10721 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
TIE1 P35590 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
ALK Q9UM73 1/20 0.38

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
SCHEMBL505045 0.94 GRM5 (0.46) GRM5SCD5KCNH2JAK2NTRK1
SCHEMBL505074 0.91 GRM5 (0.48) GRM5KCNH2KDM4ENPC1ALDH1A1
SCHEMBL505165 0.87 GRM5 (0.53) GRM5SCD5KCNH2KDM4ENPC1
SCHEMBL506001 0.87 GRM5 (0.38) GRM5SCD5KCNH2CYP1A2
SCHEMBL505831 0.87 GRM5 (0.39) GRM5SCD5KCNH2NPC1ALDH1A1
SCHEMBL10250144 0.87 NPC1 (0.44) GRM5KDM4ENPC1ALDH1A1TP53
SCHEMBL505481 0.87 GRM5 (0.52) GRM5SCD5KCNH2
SCHEMBL505132 0.87 ADRA1A (0.46) GRM5KDM4ENPC1ALDH1A1TP53
SCHEMBL10250521 0.86 GRM5 (0.44) GRM5KCNH2KDM4ENPC1ALDH1A1
SCHEMBL506197 0.85 GRM5 (0.43) GRM5KCNH2KDM4ENPC1ALDH1A1

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
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GRM5 1/4885SCD5 908/4885KCNH2 3375/4885

“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.