SCHEMBL21889517

SCHEMBL21889517

c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC2 P15153 1/20 0.40
RAC3 P60763 1/20 0.40
CDC42 P60953 1/20 0.40
RAC1 P63000 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ABCG2 Q9UNQ0 4/20 0.33
PTGER4 P35408 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
NPY5R Q15761 1/20 0.32
ACP1 P24666 2/20 0.32
KMT2A Q03164 3/20 0.32
RXRA P19793 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
SCHEMBL22148639 0.94 ATM (0.37) RAC2RAC3CDC42RAC1L3MBTL1
SCHEMBL22457797 0.90 L3MBTL1 (0.43) RAC2RAC3CDC42RAC1L3MBTL1
SCHEMBL30339340 0.89 L3MBTL1 (0.39) L3MBTL1ATMKDM4EABCG2ACP1
SCHEMBL21888539 0.89 L3MBTL1 (0.39) L3MBTL1ATMKDM4EABCG2ACP1
SCHEMBL21840756 0.89 KMT2A (0.37) RAC2RAC3CDC42RAC1L3MBTL1
SCHEMBL21888655 0.89 NPY5R (0.37) RAC2RAC3CDC42RAC1L3MBTL1
SCHEMBL21889533 0.86 MEN1 (0.38) RAC2RAC3CDC42RAC1L3MBTL1
SCHEMBL30338772 0.86 MEN1 (0.38) RAC2RAC3CDC42RAC1L3MBTL1
SCHEMBL21888837 0.86 ESR1 (0.35) RAC2RAC3CDC42RAC1L3MBTL1
SCHEMBL22148673 0.85 L3MBTL1 (0.43) RAC2RAC3CDC42RAC1L3MBTL1

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-20200115376-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-04-16 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-20200115376-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, NDUFV3, SLCO1B3 RAC2 4015/4885RAC3 3119/4885CDC42 4304/4885

“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.