SCHEMBL21758161

SCHEMBL21758161

N#Cc1ccc(-c2ccncc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
CYP19A1 P11511 3/20 0.34
TDP2 O95551 3/20 0.34
MAPK1 P28482 1/20 0.34
CDK4 P11802 1/20 0.32
CDK6 Q00534 1/20 0.32
CHUK O15111 1/20 0.32
PTGER4 P35408 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
ROCK2 O75116 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 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
SCHEMBL21758344 0.94 KDM4E (0.38) KDM4EATML3MBTL1CYP11B1CYP11B2
SCHEMBL21758716 0.93 KDM4E (0.38) KDM4EATML3MBTL1CYP11B1CYP11B2
SCHEMBL21396773 0.90 CHUK (0.38) CYP11B1CYP11B2CYP19A1CHUKPTGER4
SCHEMBL21758194 0.86 KDM4E (0.39) KDM4EATML3MBTL1CYP11B1CYP11B2
SCHEMBL21758152 0.85 CYP11B2 (0.39) CYP11B1CYP11B2CYP19A1PTGER4SLC22A12
SCHEMBL21758163 0.85 CYP11B1 (0.33) KDM4EATML3MBTL1CYP11B1CYP11B2
SCHEMBL21396734 0.84 CYP11B2 (0.38) CYP11B1CYP11B2CYP19A1CHUKSLC22A12
SCHEMBL21396776 0.84 CHUK (0.37) CYP11B1CYP11B2CYP19A1CHUKPTGER4
SCHEMBL21758316 0.84 CYP11B2 (0.39) CYP11B1CYP11B2CYP19A1PTGER4SLC22A12
SCHEMBL21396785 0.84 CYP11B2 (0.36) CYP11B1CYP11B2CYP19A1TDP2CHUK

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.