SCHEMBL21396747

SCHEMBL21396747

N#Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3ccc(-n4c5ccccc5c5ccccc54)c(C#N)c3)n2)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IMPDH2 P12268 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
THRB P10828 1/20 0.34
AR P10275 2/20 0.33
PIM1 P11309 1/20 0.33
MCL1 Q07820 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 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
SCHEMBL21396701 0.92 CYP11B1 (0.39) KDM4EATML3MBTL1CYP11B1CYP11B2
SCHEMBL21397126 0.86 GRM5 (0.35) KDM4EATML3MBTL1KMT2AIMPDH2
SCHEMBL23127736 0.84 ALDH1A1 (0.43) KDM4ECYP11B1CYP11B2MEN1KMT2A
SCHEMBL19062209 0.84 IMPDH2 (0.43) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL21396982 0.83 ALDH1A1 (0.39) KDM4EATML3MBTL1CYP11B1CYP11B2
SCHEMBL18684084 0.82 ALDH1A1 (0.38) KDM4EATML3MBTL1CYP11B1CYP11B2
SCHEMBL18684591 0.82 ALDH1A1 (0.38) KDM4EATML3MBTL1CYP11B1CYP11B2
SCHEMBL21397008 0.82 CYP11B1 (0.33) KDM4EATML3MBTL1CYP11B1CYP11B2
SCHEMBL26725430 0.82 KDM4E (0.39) KDM4EATML3MBTL1CYP11B1CYP11B2
SCHEMBL26725425 0.81 KDM4E (0.38) KDM4EATML3MBTL1CYP11B1CYP11B2

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 KDM4E 955/4885ATM 4028/4885L3MBTL1 1378/4885

“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.