SCHEMBL21758716

SCHEMBL21758716

N#Cc1ccc(-c2cnccc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
CYP19A1 P11511 3/20 0.34
TDP2 O95551 3/20 0.34
MAPK1 P28482 1/20 0.34
SLC22A12 Q96S37 5/20 0.33
CDK4 P11802 1/20 0.32
CDK6 Q00534 1/20 0.32
CHUK O15111 1/20 0.32
PTGER4 P35408 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP1A2 P05177 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
SCHEMBL21758194 0.94 KDM4E (0.39) KDM4EATML3MBTL1CYP11B1CYP11B2
SCHEMBL21758161 0.93 KDM4E (0.38) KDM4EATML3MBTL1CYP11B1CYP11B2
SCHEMBL21396782 0.90 CYP11B2 (0.38) CYP11B1CYP11B2CYP19A1SLC22A12CHUK
SCHEMBL21758710 0.89 CYP19A1 (0.34) KDM4EATML3MBTL1CYP11B1CYP11B2
SCHEMBL21758709 0.89 CYP19A1 (0.34) KDM4EATML3MBTL1CYP11B1CYP11B2
SCHEMBL21758474 0.89 CHUK (0.38) CYP11B1CYP11B2CYP19A1SLC22A12CHUK
SCHEMBL21758344 0.88 KDM4E (0.38) KDM4EATML3MBTL1CYP11B1CYP11B2
SCHEMBL21758708 0.85 CYP11B2 (0.39) CYP11B1CYP11B2CYP19A1SLC22A12PTGER4
SCHEMBL21396781 0.84 CYP11B2 (0.39) CYP11B1CYP11B2CYP19A1SLC22A12CHUK
SCHEMBL21758159 0.84 CYP11B2 (0.37) CYP11B1CYP11B2SLC22A12CHUKPTGER4

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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 KDM4E 2308/4885ATM 4390/4885L3MBTL1 1426/4885

“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.