SCHEMBL505328

SCHEMBL505328

O=C1Cn2nc(-c3ccccn3)nc2CN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
GRM5 P41594 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
APAF1 O14727 1/20 0.40
KDM4A O75164 1/20 0.40
TDP2 O95551 1/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
PPARG P37231 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
DUSP3 P51452 1/20 0.40
GALK1 P51570 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
SCHEMBL505515 0.76 PDCD1 (0.53) KDM4ETDP1GRM5NPC1RAB9A
SCHEMBL27412915 0.64 KDM4E (0.46) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL322756 0.63 KDM4E (1.00) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL29354466 0.63 KDM4E (1.00) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL789163 0.61 KDM4E (0.95) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL29171375 0.61 KDM4E (0.95) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL11213260 0.61 KDM4E (0.95) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL870201 0.61 KDM4E (0.95) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL32681187 0.61 KDM4E (0.95) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL31268013 0.61 KDM4E (0.75) KDM4ETDP1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2855/4885TDP1 2077/4885GRM5 1/4885

“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.