SCHEMBL21396970

SCHEMBL21396970

N#Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)c(-n2c3ccccc3c3ccccc32)c(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.46
PTGER4 P35408 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4C Q9H3R0 1/20 0.34
METAP2 P50579 1/20 0.33
TGFBR1 P36897 1/20 0.33

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
SCHEMBL21397127 0.85 GRM5 (0.42) GRM5PTGER4KDM4EATML3MBTL1
SCHEMBL21781706 0.85 GRM5 (0.36) GRM5KDM4EMETAP2
SCHEMBL21397134 0.82 GRIA1 (0.35) GRM5KDM4EATML3MBTL1TGFBR1
SCHEMBL21758592 0.82 GRM5 (0.40) GRM5PTGER4KDM4EKDM4CTGFBR1
SCHEMBL21396685 0.82 GRM5 (0.48) GRM5PTGER4KDM4EATML3MBTL1
SCHEMBL21396971 0.82 KDM4E (0.38) GRM5PTGER4KDM4EATML3MBTL1
SCHEMBL21758587 0.81 GRM5 (0.39) GRM5PTGER4KDM4EKDM4CTGFBR1
SCHEMBL21758584 0.81 GRM5 (0.39) GRM5PTGER4KDM4EKDM4CTGFBR1
SCHEMBL21396751 0.81 MAPK1 (0.38) GRM5PTGER4KDM4EATML3MBTL1
SCHEMBL15469063 0.79 KDM4E (0.52) KDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 US 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 GRM5 4577/4885PTGER4 2404/4885KDM4E 955/4885

“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.