SCHEMBL22457797

SCHEMBL22457797

c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PTGER4 P35408 4/20 0.40
NPY5R Q15761 2/20 0.35
KMT2A Q03164 4/20 0.35
ABCG2 Q9UNQ0 4/20 0.34
RAC2 P15153 1/20 0.34
RAC3 P60763 1/20 0.34
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34
TSPO P30536 1/20 0.33
IL1R1 P14778 1/20 0.33
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 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
SCHEMBL22148673 0.95 L3MBTL1 (0.43) L3MBTL1ATMKDM4EPTGER4NPY5R
SCHEMBL21888655 0.94 NPY5R (0.37) L3MBTL1ATMKDM4EPTGER4NPY5R
SCHEMBL22458159 0.92 L3MBTL1 (0.42) L3MBTL1ATMKDM4EPTGER4NPY5R
SCHEMBL21889517 0.90 RAC2 (0.40) L3MBTL1ATMKDM4EPTGER4NPY5R
SCHEMBL22457791 0.90 L3MBTL1 (0.45) L3MBTL1ATMKDM4EPTGER4NPY5R
SCHEMBL21888622 0.90 MEN1 (0.36) L3MBTL1ATMKDM4ENPY5RKMT2A
SCHEMBL22457853 0.90 KDM4E (0.40) L3MBTL1ATMKDM4EPTGER4NPY5R
SCHEMBL22148653 0.89 TSPO (0.37) L3MBTL1ATMKDM4EPTGER4NPY5R
SCHEMBL21562743 0.89 L3MBTL1 (0.51) L3MBTL1ATMKDM4EPTGER4NPY5R
SCHEMBL20596342 0.88 L3MBTL1 (0.45) L3MBTL1ATMKDM4EPTGER4NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185824-A1 PI-CONJUGATED COMPOUND, METHOD FOR PRODUCING PI-CONJUGATED COMPOUND, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, LIGHT EMITTING MATERIAL, CHARGE TRANSPORT MATERIAL, LIGHT EMITTING FILM AND ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2022-06-16 US disclosed
WO-2020189117-A1 π-CONJUGATED COMPOUND, METHOD FOR PRODUCING π-CONJUGATED COMPOUND, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, LIGHT EMITTING MATERIAL, CHARGE TRANSPORT MATERIAL, LUMINESCENT THIN FILM AND ORGANIC ELECTROLUMINESCENT ELEMENT コニカミノルタ株式会社 2020-09-24 WO 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-20220185824-A1 PI-CONJUGATED COMPOUND, METHOD FOR PRODUCING PI-CONJUGATED COMPOUND, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, LIGHT EMITTING MATERIAL, CHARGE TRANSPORT MATERIAL, LIGHT EMITTING FILM AND ORGANIC ELECTROLUMINESCENT ELEMENT NAP1L1, XPO6, INTS6 L3MBTL1 1836/4885ATM 2901/4885KDM4E 3483/4885

“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.