SCHEMBL21396733

SCHEMBL21396733

N#Cc1ccc(-c2cccc(-c3cccnc3-n3c4ccccc4c4ccccc43)c2)c(-n2c3ccccc3c3ccccc32)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
GRM5 P41594 6/20 0.36
ELANE P08246 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
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
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TDO2 P48775 1/20 0.33
BRD4 O60885 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 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
SCHEMBL21396732 0.91 USP30 (0.40) USP30CLK4GRM5ELANEABCG2
SCHEMBL21397013 0.90 PTGER4 (0.36) USP30CLK4GRM5ELANEBRD4
SCHEMBL21397050 0.87 TDO2 (0.42) USP30CLK4GRM5ELANEABCG2
SCHEMBL21396788 0.87 BRD4 (0.33) USP30CLK4GRM5ELANEABCG2
SCHEMBL21397149 0.86 GRM5 (0.34) GRM5ABCG2BRD4
SCHEMBL22377796 0.82 PDCD1 (0.39)
SCHEMBL21397014 0.82 DDB1 (0.37) USP30CLK4ELANEBRD4
SCHEMBL21396734 0.82 CYP11B2 (0.38) ABCG2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL22377561 0.81 KDM4E (0.39)
SCHEMBL21397128 0.81 CYP11B2 (0.39) CLK4ABCG2CYP1A2CYP3A4CYP2D6

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 2373/4885GRM5 4577/4885

“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.