SCHEMBL21927643

SCHEMBL21927643

N#Cc1ncccc1-c1ccccc1-c1cccc(N2c3ccccc3Oc3ccccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.36
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
BACE1 P56817 1/20 0.33
AR P10275 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
METAP2 P50579 1/20 0.31
USP30 Q70CQ3 1/20 0.31
GRM1 Q13255 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
SCHEMBL21927577 0.95 PRMT5 (0.36) GRM5KDM4ETP53PRMT5WDR77
SCHEMBL21927183 0.93 PRMT5 (0.35) GRM5KDM4ETP53PRMT5WDR77
SCHEMBL21927900 0.90 ALDH1A1 (0.35) GRM5KDM4ETP53PRMT5WDR77
SCHEMBL21927679 0.88 GRM5 (0.39) GRM5KDM4ETP53PRMT5WDR77
SCHEMBL21928210 0.85 KMT2A (0.35) GRM5KDM4ETP53PRMT5WDR77
SCHEMBL21927322 0.85 ALDH1A1 (0.38) GRM5PRMT5WDR77BACE1IRAK4
SCHEMBL21927999 0.84 AR (0.40) GRM5KDM4ETP53PRMT5WDR77
SCHEMBL21927639 0.84 KDM4E (0.37) GRM5KDM4ETP53ARALDH1A1
SCHEMBL21927579 0.83 PRMT5 (0.38) GRM5KDM4ETP53PRMT5WDR77
SCHEMBL21921899 0.83 GRM1 (0.34) TP53PRMT5WDR77BACE1ALDH1A1

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 GRM5 4162/4885KDM4E 3872/4885TP53 2822/4885

“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.