SCHEMBL1103349

SCHEMBL1103349

c1ccc(N2c3ccccc3N(c3ccccc3)c3cc(-c4c5ccccc5c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5N6c5ccccc5)c5c4cnc4ccccc45)ccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.34
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GRM4 Q14833 2/20 0.32
HTR2B P41595 1/20 0.32
MTNR1A P48039 1/20 0.32
KCNH2 Q12809 1/20 0.32
ACVR1 Q04771 1/20 0.31
PDPK1 O15530 1/20 0.31
MAPT P10636 1/20 0.31
GABRA1 P14867 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRA6 Q16445 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL1103353 0.87 ADORA3 (0.31) ADORA3CDK4CCND1PDPK1
SCHEMBL1103348 0.86 CDK4 (0.34) ADORA3CDK4CCND1GRM4
SCHEMBL1103347 0.86 HDAC6 (0.32) ADORA3
SCHEMBL1103352 0.86 ADRA2A (0.32) ADORA3LMNAMAPTKDM4E
SCHEMBL1103345 0.85 ADORA3 (0.30) ADORA3
SCHEMBL1103343 0.84 PDPK1 (0.31) CDK4CCND1PDPK1
SCHEMBL1103329 0.80 L3MBTL1 (0.45) ADORA3CDK4CCND1GRM4ACVR1
SCHEMBL1103422 0.78 L3MBTL1 (0.43) ADORA3CDK4CCND1LMNAACVR1
SCHEMBL1103449 0.78 ESR1 (0.42) CDK4CCND1LMNAPDPK1MAPT
SCHEMBL1103491 0.78 ESR1 (0.42) CDK4CCND1LMNAPDPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 ADORA3 2542/4885CDK4 1577/4885CCND1 22/4885

“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.