SCHEMBL22456752

SCHEMBL22456752

CP(C)(=O)c1ccc2c3ccccc3c3nc4ccc(-c5ccc(C#N)cc5)cc4n3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
ADORA2A P29274 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
PTGER4 P35408 2/20 0.35
PRF1 P14222 4/20 0.34
HRH4 Q9H3N8 1/20 0.34
MAP4K4 O95819 1/20 0.33
ACP1 P24666 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACSS2 Q9NR19 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
SCHEMBL22456743 0.95 CHEK1 (0.38) CHEK1ADORA2AKMT2AMEN1ATM
SCHEMBL22456754 0.95 ADORA2A (0.39) CHEK1ADORA2AKMT2AMEN1ATM
SCHEMBL22456740 0.93 ADORA2A (0.38) CHEK1ADORA2AKMT2AMEN1ATM
SCHEMBL22456755 0.92 ADORA2A (0.41) CHEK1ADORA2AKMT2AMEN1ATM
SCHEMBL22456809 0.89 ALDH1A1 (0.42) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL22456753 0.85 PTGER4 (0.37) CHEK1ADORA2AKMT2AMEN1ATM
SCHEMBL22456454 0.84 ALDH1A1 (0.41) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL22456456 0.83 ALDH1A1 (0.46) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL22456496 0.83 ALDH1A1 (0.46) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL22456805 0.81 ALDH1A1 (0.41) KMT2AMEN1KDM4EALDH1A1HPGD

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-20200303661-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2020-09-24 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-20200303661-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME NR2E3, NR2E1, NOX1 CHEK1 1251/4885ADORA2A 1858/4885KMT2A 3190/4885

“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.