SCHEMBL30709477

SCHEMBL30709477

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ncccc54)nc(-n4c5ccccc5c5ncccc54)c3-n3c4ccccc4c4ncccc43)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.33
ABCG2 Q9UNQ0 3/20 0.33
KDM4E B2RXH2 1/20 0.32
TOP1 P11387 3/20 0.31
TSHR P16473 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ALOX15 P16050 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2C19 P33261 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
SCHEMBL22148529 0.91 TOP1 (0.40) KDM4ETOP1TSHRKMT2AMEN1
SCHEMBL30709517 0.89 TOP1 (0.38) PIK3CAABCG2TOP1TSHRADORA2A
SCHEMBL22148545 0.88 TSHR (0.36) ABCG2KDM4ETSHRADORA3ALOX15
SCHEMBL30709549 0.86 ABCG2 (0.35) PIK3CAABCG2TOP1KMT2AMEN1
SCHEMBL30709398 0.84 MEN1 (0.35) KDM4ETOP1KMT2AMEN1ALDH1A1
SCHEMBL30709385 0.84 TOP1 (0.40) KDM4ETOP1TSHRALDH1A1
SCHEMBL21562840 0.84 KMT2A (0.35) KDM4ETOP1TSHRKMT2AMEN1
SCHEMBL22148726 0.84 TOP1 (0.34) TOP1TSHR
SCHEMBL30709686 0.84 MAPK14 (0.40) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL29996466 0.83 ABCG2 (0.38) PIK3CAABCG2TOP1TSHRKMT2A

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 PIK3CA 2934/4885ABCG2 145/4885KDM4E 4409/4885

“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.