SCHEMBL18540331

SCHEMBL18540331

N#Cc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-n3c4ccccc4c4cc(C#N)ccc43)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGER4 P35408 3/20 0.39
PGR P06401 2/20 0.38
G6PD P11413 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
RORC P51449 4/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
TSPO P30536 1/20 0.34
HDAC4 P56524 1/20 0.34
TDP2 O95551 1/20 0.34

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
SCHEMBL18540338 1.00 KDM4E (0.45) KDM4EATML3MBTL1PTGER4PGR
SCHEMBL18540344 0.98 ATM (0.43) KDM4EATML3MBTL1PTGER4PGR
SCHEMBL18540346 0.98 ATM (0.43) KDM4EATML3MBTL1PTGER4PGR
SCHEMBL18540326 0.97 ATM (0.47) KDM4EATML3MBTL1PTGER4PGR
SCHEMBL15250624 0.97 ATM (0.47) KDM4EATML3MBTL1PTGER4PGR
SCHEMBL15248254 0.96 KDM4E (0.46) KDM4EATML3MBTL1PTGER4PGR
SCHEMBL18540342 0.95 ATM (0.45) KDM4EATML3MBTL1PTGER4PGR
SCHEMBL15250630 0.95 ATM (0.47) KDM4EATML3MBTL1PTGER4PGR
SCHEMBL15250633 0.95 ATM (0.50) KDM4EATML3MBTL1PTGER4PGR
SCHEMBL15250586 0.94 ATM (0.44) KDM4EATML3MBTL1PTGER4PGR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10193082-B2 Condensed-cyclic compound and organic light emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-01-29 US disclosed
US-20170054082-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-02-23 US disclosed
US-20170054082-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-02-23 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 (2 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-10193082-B2 Condensed-cyclic compound and organic light emitting device including the same CRY1, CNOT9, CNOT1 KDM4E 3311/4885ATM 1306/4885L3MBTL1 494/4885
US-20170054082-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME CRY1, CNOT9, CNOT1 KDM4E 3311/4885ATM 1306/4885L3MBTL1 494/4885

“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.