SCHEMBL21397043

SCHEMBL21397043

N#Cc1ccc(-c2ccnc(-n3c4ccccc4c4ccccc43)c2)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAUR Q03405 1/20 0.37
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGER4 P35408 1/20 0.34
GRM5 P41594 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
GSK3B P49841 2/20 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
SCHEMBL19062273 0.86 KDM4E (0.42) CYP11B1CYP11B2MAPTKMT2AALDH1A1
SCHEMBL21396646 0.86 PLAUR (0.36) PLAURCYP11B1CYP11B2MAPTKMT2A
SCHEMBL19933128 0.85 GSK3B (0.46) CYP11B1CYP11B2MAPTGSK3BDYRK1A
SCHEMBL21396956 0.84 PDE4A (0.37) PLAURCYP11B1CYP11B2MAPTKMT2A
SCHEMBL21396980 0.82 MAPK1 (0.39) PLAURCYP11B1CYP11B2MAPTKMT2A
SCHEMBL28573129 0.82 KDM4E (0.43) CYP11B1CYP11B2KMT2AALDH1A1HPGD
SCHEMBL23342760 0.82 GRM5 (0.30) GRM5
SCHEMBL21396763 0.81 CYP11B1 (0.34) PLAURCYP11B1CYP11B2MAPTKMT2A
SCHEMBL21396691 0.81 ALDH1A1 (0.36) CYP11B1CYP11B2ALDH1A1HPGDGRM5
SCHEMBL31273485 0.80 CYP11B2 (0.48) CYP11B1CYP11B2ALDH1A1GAAKDM4E

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 PLAUR 3215/4885CYP11B1 1877/4885CYP11B2 1859/4885

“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.