SCHEMBL21397049

SCHEMBL21397049

N#Cc1cccc(-c2cccc(-c3cccnc3-n3c4ccccc4c4ccccc43)c2)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.36
GABRG2 P18507 6/20 0.36
GABRB3 P28472 6/20 0.36
GABRA2 P47869 4/20 0.36
GABRA5 P31644 4/20 0.36
GABRA3 P34903 4/20 0.36
CYP11B2 P19099 1/20 0.35
USP30 Q70CQ3 2/20 0.35
PLAUR Q03405 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL21397015 0.89 LRRK2 (0.35) KDM4EHPGDMEN1MAPTKMT2A
SCHEMBL21397052 0.85 KDM4E (0.35) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL21396722 0.85 USP30 (0.35) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL21396660 0.85 CYP11B2 (0.33) CYP11B2KDM4EMAPTALDH1A1
SCHEMBL21396745 0.84 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA3GSK3B
SCHEMBL21396680 0.82 CYP11B2 (0.40) CYP11B2PLAURKDM4ECYP1A2CYP3A4
SCHEMBL28564875 0.81 MAPK14 (0.40) GABRG2GABRB3GABRA5GABRA3KDM4E
SCHEMBL24927241 0.81 GABRG2 (0.34) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL22377550 0.81 KDM4E (0.39) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL19755243 0.80 KDM4E (0.41) GABRA1GABRG2GABRB3GABRA2GABRA5

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 GABRA1 2479/4885GABRG2 3243/4885GABRB3 2616/4885

“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.