SCHEMBL21706874

SCHEMBL21706874

c1ccc(N(c2cccnc2)c2ccc3c4c5ccccc5n(-c5ccccc5)c4n(-c4ccccc4)c3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 3/20 0.34
METAP2 P50579 3/20 0.34
HDAC6 Q9UBN7 2/20 0.34
CYP3A4 P08684 2/20 0.33
TOP2A P11388 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PRMT5 O14744 2/20 0.32
MAT2A P31153 2/20 0.32
ALOX12 P18054 1/20 0.32
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNA5 P22460 1/20 0.32

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
SCHEMBL21706873 0.93 KDM4E (0.36) KDM4EATML3MBTL1CYP1A2METAP2
SCHEMBL21706872 0.92 MDM2 (0.34) KDM4EATML3MBTL1CYP1A2METAP2
SCHEMBL21707001 0.89 KDM4E (0.38) KDM4EATML3MBTL1TOP2AMEN1
SCHEMBL21707149 0.88 ICMT (0.36) KDM4EATML3MBTL1CYP1A2METAP2
SCHEMBL24222248 0.86 L3MBTL1 (0.42) KDM4EATML3MBTL1CYP1A2METAP2
SCHEMBL21706879 0.84 KDM4E (0.40) KDM4EATML3MBTL1MEN1ALDH1A1
SCHEMBL21706850 0.84 GFER (0.33) KDM4EATML3MBTL1CYP1A2HDAC6
SCHEMBL21699154 0.83 KDM4E (0.41) KDM4EATML3MBTL1CYP1A2CYP3A4
SCHEMBL21707002 0.82 KDM4E (0.38) KDM4EATML3MBTL1
SCHEMBL21706853 0.82 KDM4E (0.34) KDM4EATML3MBTL1CYP1A2ALOX12

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-20200052223-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-13 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-20200052223-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 KDM4E 3395/4885ATM 969/4885L3MBTL1 1571/4885

“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.