SCHEMBL21397023

SCHEMBL21397023

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc(-c3ncccc3-n3c4ccccc4c4ccccc43)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CDK4 P11802 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
TGFBR1 P36897 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
EGFR P00533 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
SCHEMBL21397148 0.91 GRM5 (0.34) GRM5METAP2METAP1ABCG2CDK4
SCHEMBL21397011 0.87 PTGER4 (0.36) CDK2GSK3BDDB1CRBNEGFR
SCHEMBL21396959 0.87 GRM5 (0.34) GRM5METAP2METAP1ABCG2CDK4
SCHEMBL21758229 0.84 DDB1 (0.40) CDK2GSK3BDDB1CRBNKDM4E
SCHEMBL21396736 0.83 TDO2 (0.42) GRM5ABCG2
SCHEMBL21396907 0.83 DDB1 (0.34) ABCG2CDK2GSK3BDDB1CRBN
SCHEMBL21396963 0.82 CYP11B1 (0.37) CDK4CDK2GSK3BDYRK1AEGFR
SCHEMBL21396962 0.81 CDK4 (0.35) CDK4CDK2GSK3BDYRK1AALDH1A1
SCHEMBL21396780 0.80 PTGER4 (0.36) GRM5CDK2GSK3BDDB1CRBN
SCHEMBL21758230 0.79 DDB1 (0.40) GRM5CDK2GSK3BDDB1CRBN

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 4577/4885METAP2 4343/4885METAP1 4470/4885

“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.