SCHEMBL21397149

SCHEMBL21397149

N#Cc1ccc(-c2cccc(-c3cccnc3-n3c4ccccc4c4ccccc43)n2)c(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

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
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
BRD4 O60885 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
SCHEMBL21396959 0.91 GRM5 (0.34) GRM5METAP2METAP1ABCG2CDK4
SCHEMBL21397013 0.89 PTGER4 (0.36) GRM5BRD4EGFR
SCHEMBL21397148 0.87 GRM5 (0.34) GRM5METAP2METAP1ABCG2CDK4
SCHEMBL21396733 0.86 USP30 (0.40) GRM5ABCG2BRD4
SCHEMBL21396788 0.86 BRD4 (0.33) GRM5ABCG2KDM4EALDH1A1MAPT
SCHEMBL21397146 0.82 CDK4 (0.35) ABCG2CDK4CDK2GSK3BDYRK1A
SCHEMBL21397014 0.82 DDB1 (0.37) BRD4EGFR
SCHEMBL21927383 0.82 CA1 (0.38) KDM4EALDH1A1EGFR
SCHEMBL21397147 0.81 CYP11B1 (0.36) CDK4CDK2GSK3BDYRK1AALDH1A1
SCHEMBL21396961 0.80 GRM5 (0.35) GRM5GSK3BDYRK1AKDM4EALDH1A1

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.