SCHEMBL21046112

SCHEMBL21046112

N#Cc1ccc(-c2c(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c(-c3ccccc3)nc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.33
RAF1 P04049 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALDH1A3 P47895 1/20 0.33
AKT1 P31749 4/20 0.32
AKT2 P31751 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
TNK2 Q07912 1/20 0.31
GRM5 P41594 1/20 0.30
AR P10275 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 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
SCHEMBL21046138 0.89 ALDH1A3 (0.34) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL21046131 0.83 AR (0.35) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL22126412 0.82 AKT1 (0.33) AKT1AKT2
SCHEMBL30709408 0.82 AKT1 (0.33) AKT1AKT2
SCHEMBL22457909 0.78 PGR (0.38) ALDH1A3MEN1KMT2AATMAR
SCHEMBL21085446 0.75 PDK2 (0.36) ALDH1A3MEN1KMT2AATMGABRA1
SCHEMBL22457902 0.74 MEN1 (0.40) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL19345024 0.74 PGR (0.42) ALDH1A3MEN1KMT2AATMAR
SCHEMBL20769874 0.74 MYC (0.38) ALDH1A3AKT1MEN1KMT2AATM
SCHEMBL22457903 0.73 MEN1 (0.34) ALDH1A3MEN1KMT2AATMAR

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 4 patents. 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
US-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-06-25 US disclosed
CN-111051471-A Composition for use in organic light emitting diodes 九州有机光材股份有限公司 2020-04-21 CN disclosed
US-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 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 (3 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-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA MAPK13 4694/4885RAF1 4651/4885MAPK12 4607/4885
US-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, NDUFV2, CRY2 MAPK13 4751/4885RAF1 4695/4885MAPK12 4798/4885
US-11849634-B2 Composition of matter for use in organic light- emitting diodes NDUFV3, NDUFV2, CRY2 MAPK13 4751/4885RAF1 4695/4885MAPK12 4798/4885

“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.