SCHEMBL20413201

SCHEMBL20413201

c1cnc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6ncccn6)c5)c34)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHFR P00374 1/20 0.33
CLK4 Q9HAZ1 2/20 0.33
DYRK1A Q13627 1/20 0.33
PTGER1 P34995 1/20 0.31
GRM5 P41594 3/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
DUSP3 P51452 1/20 0.31

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
SCHEMBL20413179 0.90 KDM4E (0.41) KDM4EATML3MBTL1DHFRCLK4
SCHEMBL19269303 0.89 KDM4E (0.36) KDM4EATML3MBTL1CLK4DYRK1A
SCHEMBL9955519 0.88 HTR1A (0.43) KDM4EATML3MBTL1DHFRPTGER1
SCHEMBL12691250 0.88 KDM4E (0.41) KDM4EATML3MBTL1MEN1GAA
SCHEMBL21365889 0.88 L3MBTL1 (0.45) KDM4EATML3MBTL1MEN1GAA
SCHEMBL21647268 0.87 L3MBTL1 (0.50) KDM4EATML3MBTL1DHFRCLK4
SCHEMBL17878985 0.86 L3MBTL1 (0.44) KDM4EATML3MBTL1MEN1GAA
SCHEMBL12691170 0.86 L3MBTL1 (0.44) KDM4EATML3MBTL1MEN1GAA
SCHEMBL12690809 0.86 L3MBTL1 (0.44) KDM4EATML3MBTL1MEN1GAA
SCHEMBL12456569 0.86 L3MBTL1 (0.44) KDM4EATML3MBTL1MEN1GAA

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-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 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-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 KDM4E 2444/4885ATM 3591/4885L3MBTL1 206/4885

“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.