SCHEMBL21396679

SCHEMBL21396679

N#Cc1cc(-c2ccncc2-n2c3ccccc3c3ccccc32)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 1/20 0.42
CYP11B2 P19099 2/20 0.39
CYP11B1 P15538 1/20 0.39
CDK5 Q00535 3/20 0.38
DYRK1A Q13627 3/20 0.38
CDK5R1 Q15078 3/20 0.38
CLK1 P49759 2/20 0.38
CLK2 P49760 2/20 0.38
CLK3 P49761 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
PDE10A Q9Y233 1/20 0.37
HTT P42858 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
ACVR1B P36896 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
TRPA1 O75762 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
SCHEMBL21396678 0.90 NCOA3 (0.42) NCOA3CYP11B2CYP11B1CDK5DYRK1A
SCHEMBL22385660 0.87 CYP11B2 (0.36) NCOA3CYP11B2CYP11B1CDK5DYRK1A
SCHEMBL19755308 0.84 IMPDH2 (0.38) CYP11B2CYP11B1TRPA1ALDH1A1TDP1
SCHEMBL21397054 0.83 NCOA3 (0.37) NCOA3CYP11B2CYP11B1CDK5DYRK1A
SCHEMBL21396723 0.83 NCOA3 (0.37) NCOA3CYP11B2CYP11B1CDK5DYRK1A
SCHEMBL21396754 0.82 NCOA3 (0.40) NCOA3CYP11B2CDK5DYRK1ACDK5R1
SCHEMBL21396735 0.82 CYP11B2 (0.37) CYP11B2CYP11B1TDP1SLC22A12
SCHEMBL21927908 0.82 PDE10A (0.44) NCOA3CYP11B2CDK5DYRK1ACDK5R1
SCHEMBL19062209 0.82 IMPDH2 (0.43) HTTALDH1A1NPSR1TDP1SLC22A12
SCHEMBL21927192 0.81 CYP11B2 (0.39) NCOA3CYP11B2CYP11B1CDK5DYRK1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543230-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 EP disclosed
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 NCOA3 1772/4885CYP11B2 1859/4885CYP11B1 1877/4885

“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.