SCHEMBL21396961

SCHEMBL21396961

N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc(-c2cccnc2-n2c3ccccc3c3ccccc32)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.35
DRD2 P14416 5/20 0.34
HTR2A P28223 4/20 0.34
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
TGFBR1 P36897 3/20 0.33
NFATC1 O95644 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
DRD4 P21917 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL21396768 0.89 DRD2 (0.38) GRM5DRD2HTR2AHTR1AHTR7
SCHEMBL21396745 0.85 GABRA1 (0.35) GRM5DRD2HTR2AGABRA1GABRG2
SCHEMBL21396957 0.85 TGFBR1 (0.34) GRM5DRD2HTR2AHTR1AHTR7
SCHEMBL21396746 0.83 SMN1; SMN2 (0.35) GRM5DRD2HTR2AHTR1AHTR7
SCHEMBL21396722 0.83 USP30 (0.35) GRM5DRD2HTR2AHTR1AHTR7
SCHEMBL21396958 0.81 HTT (0.39) GABRA1GABRG2GABRB3GABRA3NFATC1
SCHEMBL21397053 0.81 HTT (0.39) GABRA1GABRG2GABRB3GABRA3NFATC1
SCHEMBL21397149 0.80 GRM5 (0.34) GRM5GSK3BDYRK1AALDH1A1MAPT
SCHEMBL21396959 0.80 GRM5 (0.34) GRM5GSK3BDYRK1AALDH1A1MAPT
SCHEMBL21397012 0.78 CNR2 (0.36) DRD2HTR2AHTR1AHTR7CA1

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 4577/4885DRD2 2022/4885HTR2A 3931/4885

“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.