SCHEMBL22078211

SCHEMBL22078211

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c4ccc4c5cc(-n6c7ccccc7c7ccccc76)ccc5sc43)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAC2 P15153 1/20 0.32
RAC3 P60763 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
LIMK1 P53667 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
F9 P00740 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
SCHEMBL24232937 0.97 ALOX5 (0.35) ALOX5KDM4EATML3MBTL1RAC2
SCHEMBL17231991 0.97 ALOX5 (0.36) ALOX5KDM4EATML3MBTL1RAC2
SCHEMBL22078193 0.95 ALOX5 (0.34) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22078201 0.94 ALOX5 (0.34) ALOX5KDM4EATML3MBTL1ADORA2A
SCHEMBL24216618 0.93 ALOX5 (0.35) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22078284 0.93 ALOX5 (0.34) ALOX5KDM4EATML3MBTL1ADORA2A
SCHEMBL25928497 0.93 ALOX5 (0.36) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL25714305 0.93 ALOX5 (0.41) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL24264572 0.92 ALOX5 (0.35) ALOX5KDM4EATML3MBTL1RAC2
SCHEMBL25928433 0.92 ALOX5 (0.37) ALOX5KDM4EATML3MBTL1LIMK1

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-20220056048-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2022-02-24 US disclosed
WO-2020116800-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-06-11 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-20220056048-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, ARRB1 ALOX5 1378/4885KDM4E 3925/4885ATM 2133/4885

“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.