SCHEMBL21396732

SCHEMBL21396732

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc(-c3cccnc3-n3c4ccccc4c4ccccc43)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.40
CLK4 Q9HAZ1 1/20 0.37
ELANE P08246 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
GRM5 P41594 6/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TDO2 P48775 1/20 0.33
BRD4 O60885 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
SCHEMBL21396733 0.91 USP30 (0.40) USP30CLK4ELANEABCG2GRM5
SCHEMBL21397014 0.90 DDB1 (0.37) USP30CLK4ELANEGABRA1GABRG2
SCHEMBL21927468 0.89 METAP2 (0.38) USP30CLK4ELANEABCG2GRM5
SCHEMBL21396688 0.87 DDB1 (0.34) USP30CLK4ELANEABCG2GRM5
SCHEMBL21396736 0.87 TDO2 (0.42) USP30CLK4ELANEABCG2GRM5
SCHEMBL21396959 0.86 GRM5 (0.34) ABCG2GRM5BRD4
SCHEMBL21396968 0.83 DDB1 (0.36) GRM5BRD4HTR6
SCHEMBL21396680 0.82 CYP11B2 (0.40) CLK4CYP1A2CYP3A4HSD17B10TDP1
SCHEMBL22378718 0.82 SMN1; SMN2 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21397013 0.82 PTGER4 (0.36) USP30CLK4ELANEGRM5BRD4

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 USP30 3777/4885CLK4 2373/4885ELANE 1103/4885

“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.