SCHEMBL21396736

SCHEMBL21396736

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc(-c3ncccc3-n3c4ccccc4c4ccccc43)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.42
CLK4 Q9HAZ1 1/20 0.40
KCNN4 O15554 1/20 0.39
KCNA5 P22460 1/20 0.39
ADORA2A P29274 2/20 0.38
ELANE P08246 1/20 0.38
GRM5 P41594 6/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PDE4D Q08499 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL21397050 0.91 TDO2 (0.42) TDO2CLK4KCNN4KCNA5ADORA2A
SCHEMBL21397011 0.88 PTGER4 (0.36) TDO2CLK4ELANE
SCHEMBL21758237 0.87 TDO2 (0.40) TDO2CLK4KCNN4KCNA5ADORA2A
SCHEMBL21927468 0.87 METAP2 (0.38) TDO2CLK4ELANEGRM5USP30
SCHEMBL21396732 0.87 USP30 (0.40) TDO2CLK4ELANEGRM5CYP1A2
SCHEMBL21758229 0.85 DDB1 (0.40) TDO2CLK4
SCHEMBL21758351 0.84 TDO2 (0.36) TDO2CLK4KCNN4KCNA5GRM5
SCHEMBL21397023 0.83 GRM5 (0.34) GRM5ABCG2
SCHEMBL21396907 0.83 DDB1 (0.34) TDO2CLK4ADORA2AELANEABCG2
SCHEMBL22378718 0.82 SMN1; SMN2 (0.39) ADORA2A

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 TDO2 1258/4885CLK4 2373/4885KCNN4 84/4885

“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.