SCHEMBL21992233

SCHEMBL21992233

c1ccc(N(c2ccc(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccn4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGER4 P35408 1/20 0.33
NPY5R Q15761 3/20 0.32
HDAC6 Q9UBN7 2/20 0.32
TSPO P30536 1/20 0.32
HDAC4 P56524 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL16557325 0.95 KDM4E (0.42) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16557341 0.93 KDM4E (0.44) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL14032393 0.93 KDM4E (0.49) KDM4EATML3MBTL1NPY5RHDAC6
SCHEMBL23450676 0.90 KDM4E (0.45) KDM4EATML3MBTL1HDAC6HDAC4
SCHEMBL23450862 0.88 L3MBTL1 (0.45) KDM4EATML3MBTL1HDAC6HDAC4
SCHEMBL2699413 0.88 L3MBTL1 (0.55) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL29400144 0.88 L3MBTL1 (0.55) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL13725862 0.88 L3MBTL1 (0.55) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL134336 0.88 L3MBTL1 (0.55) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL29364265 0.88 L3MBTL1 (0.55) KDM4EATML3MBTL1PTGER4TSPO

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-20200144517-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2020-05-07 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-20200144517-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 KDM4E 2960/4885ATM 1582/4885L3MBTL1 958/4885

“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.