SCHEMBL30709229

SCHEMBL30709229

Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)cc3)c(-c3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
ABCG2 Q9UNQ0 4/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
PTGER4 P35408 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL30709454 1.00 KDM4E (0.33) KDM4EABCG2ADORA2AADORA1NPSR1
SCHEMBL30709553 1.00 KDM4E (0.33) KDM4EABCG2ADORA2AADORA1NPSR1
SCHEMBL22126493 1.00 KDM4E (0.33) KDM4EABCG2ADORA2AADORA1NPSR1
SCHEMBL30709630 1.00 KDM4E (0.33) KDM4EABCG2ADORA2AADORA1NPSR1
SCHEMBL30709421 1.00 KDM4E (0.33) KDM4EABCG2ADORA2AADORA1NPSR1
SCHEMBL30709296 0.93 PTGER4 (0.33) KDM4EABCG2PTGER4ALDH1A1MEN1
SCHEMBL30709660 0.92 ALDH1A1 (0.35) KDM4EADORA2AADORA1NPSR1HPGD
SCHEMBL30709532 0.92 ALDH1A1 (0.35) KDM4EADORA2AADORA1NPSR1HPGD
SCHEMBL30709501 0.92 ALDH1A1 (0.35) KDM4EADORA2AADORA1NPSR1HPGD
SCHEMBL30709417 0.92 ALDH1A1 (0.35) KDM4EADORA2AADORA1NPSR1HPGD

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-11849634-B2 Composition of matter for use in organic light- emitting diodes KYULUX, INC. (JP) 2023-12-19 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-11849634-B2 Composition of matter for use in organic light- emitting diodes NDUFV3, NDUFV2, CRY2 KDM4E 4409/4885ABCG2 145/4885ADORA2A 1863/4885

“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.