SCHEMBL16905693

SCHEMBL16905693

c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4sc5ccccc5c4n3)c2)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
LIMK1 P53667 2/20 0.35
PIM1 P11309 3/20 0.34
PIM2 Q9P1W9 3/20 0.34
PIM3 Q86V86 2/20 0.34
PTGER4 P35408 1/20 0.34
TNKS O95271 2/20 0.32
TNKS2 Q9H2K2 2/20 0.32
NPY5R Q15761 1/20 0.31
TSPO P30536 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RORB Q92753 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
SCHEMBL18273052 1.00 KDM4E (0.36) KDM4EATML3MBTL1LIMK1PIM1
SCHEMBL17030466 0.97 KDM4E (0.35) KDM4EATML3MBTL1LIMK1PIM1
SCHEMBL18273089 0.97 ATM (0.37) KDM4EATML3MBTL1LIMK1PIM1
SCHEMBL18273075 0.97 ATM (0.37) KDM4EATML3MBTL1LIMK1PIM1
SCHEMBL18273076 0.97 ATM (0.37) KDM4EATML3MBTL1LIMK1PIM1
SCHEMBL18273073 0.97 ATM (0.37) KDM4EATML3MBTL1LIMK1PIM1
SCHEMBL16905695 0.96 LIMK1 (0.36) KDM4EATML3MBTL1LIMK1PIM1
SCHEMBL18273090 0.96 LIMK1 (0.36) KDM4EATML3MBTL1LIMK1PIM1
SCHEMBL18273085 0.96 LIMK1 (0.36) KDM4EATML3MBTL1LIMK1PIM1
SCHEMBL18273096 0.96 LIMK1 (0.36) KDM4EATML3MBTL1LIMK1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160351826-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2016-12-01 US disclosed
WO-2015105315-A1 FUSED-RING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 삼성에스디아이 주식회사 2015-07-16 WO 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-20160351826-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 KDM4E 3527/4885ATM 1355/4885L3MBTL1 1170/4885

“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.