SCHEMBL21396700

SCHEMBL21396700

N#Cc1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)c(-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)nc2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
RET P07949 3/20 0.32
EGLN1 Q9GZT9 4/20 0.32
PDK2 Q15119 3/20 0.32
AKT1 P31749 2/20 0.32
AKT2 P31751 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
GRM5 P41594 1/20 0.31
MAP4K4 O95819 1/20 0.31
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL21397158 0.90 PDK2 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21397025 0.87 PGR (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21396729 0.87 ABCC9 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23342713 0.85 USP30 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21396694 0.83 ALDH1A1 (0.35) NPSR1RETEGLN1CYP11B1CYP11B2
SCHEMBL21397153 0.82 ABL1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21397030 0.81 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21397034 0.80 LMNA (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22916728 0.79 ABCG2 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21396687 0.79 CYP11B1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 GABRA1 2479/4885GABRG2 3243/4885GABRB3 2616/4885

“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.