SCHEMBL21929619

SCHEMBL21929619

N#Cc1ncccc1-c1ccc(-c2ccccc2N2c3ccccc3N(c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MGLL Q99685 1/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CES2 O00748 1/20 0.36
BCHE P06276 1/20 0.36
GAA P10253 1/20 0.36
CES1 P23141 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.34
METAP2 P50579 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA3 P42263 1/20 0.33
PDE4D Q08499 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
ELANE P08246 1/20 0.32
CYP11B1 P15538 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
SCHEMBL21927412 0.91 ALDH1A1 (0.41) ALDH1A1HTTHSD17B10MGLLPRMT5
SCHEMBL21928180 0.90 ALDH1A1 (0.38) ALDH1A1HTTHSD17B10MGLLPRMT5
SCHEMBL21927716 0.89 ALDH1A1 (0.37) ALDH1A1HTTHSD17B10CES2BCHE
SCHEMBL21927297 0.87 ALDH1A1 (0.40) ALDH1A1HTTHSD17B10MGLLPRMT5
SCHEMBL21927579 0.85 PRMT5 (0.38) ALDH1A1HTTHSD17B10MGLLPRMT5
SCHEMBL21929623 0.83 ALDH1A1 (0.47) ALDH1A1HTTHSD17B10MGLLMAPK1
SCHEMBL21927981 0.83 ALDH1A1 (0.38) ALDH1A1HTTHSD17B10MGLLPRMT5
SCHEMBL21928466 0.83 ALDH1A1 (0.40) ALDH1A1HTTHSD17B10MGLLPRMT5
SCHEMBL21928516 0.83 ALDH1A1 (0.40) ALDH1A1HTTHSD17B10MGLLPRMT5
SCHEMBL21927679 0.81 GRM5 (0.39) ALDH1A1HTTHSD17B10MGLLPRMT5

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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-30 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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNA1, CCNE2 ALDH1A1 511/4885HTT 2197/4885HSD17B10 3516/4885

“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.