SCHEMBL21736047

SCHEMBL21736047

CC1(C)c2ccc(-c3ccncc3)cc2-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)c(-c3ccccc3)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.35
IMPDH2 P12268 1/20 0.34
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
NPY5R Q15761 1/20 0.31
PIK3R2 O00459 1/20 0.31
MAPK13 O15264 1/20 0.31
RAF1 P04049 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
PIK3CA P42336 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 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
SCHEMBL21736387 0.96 MKNK1 (0.37) MKNK1IMPDH2MAPK8MAPK9MAPK10
SCHEMBL20670026 0.95 NPY5R (0.33) NPY5R
SCHEMBL21736582 0.92 IMPDH2 (0.31) IMPDH2MAPK9MAPK10PIK3R2
SCHEMBL20669810 0.92 TUBB4A (0.35) NPY5R
SCHEMBL21736488 0.89
SCHEMBL21735858 0.86 NPY5R (0.33) NPY5R
SCHEMBL21736041 0.85 TUBB4A (0.30)
SCHEMBL21736017 0.85 NPY5R (0.34) NPY5R
SCHEMBL20669781 0.84 NPY5R (0.33) NPY5R
SCHEMBL20669804 0.84 NPY5R (0.33) NPY5R

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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 (2 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 MKNK1 3932/4885IMPDH2 1367/4885MAPK8 2427/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 MKNK1 3932/4885IMPDH2 1367/4885MAPK8 2427/4885

“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.