SCHEMBL22158385

SCHEMBL22158385

N#Cc1cc(-n2c3cc(-c4ccnc(-c5ccccc5)c4)ccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)c(-c2c(F)cccc2F)c(-n2c3cc(-c4ccnc(-c5ccccc5)c4)ccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.38
GABRG2 P18507 5/20 0.36
GABRB3 P28472 5/20 0.36
GABRA5 P31644 5/20 0.36
GABRA3 P34903 5/20 0.36
GABRA1 P14867 2/20 0.35
ALDH1A3 P47895 1/20 0.34
PIM1 P11309 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
PIK3R2 O00459 1/20 0.33
PGR P06401 1/20 0.33
GRM5 P41594 3/20 0.33
MYC P01106 1/20 0.32
FLT3 P36888 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL22158386 0.97 TGFBR1 (0.36) TGFBR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22158387 0.91 TGFBR1 (0.36) TGFBR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22156448 0.91 TGFBR1 (0.39) TGFBR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22156823 0.88 PGR (0.38) GABRG2GABRB3GABRA5GABRA3ALDH1A3
SCHEMBL22156459 0.88 TGFBR1 (0.37) TGFBR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22156408 0.88 PGR (0.39) TGFBR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22156428 0.88 SLC6A9 (0.37) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21547032 0.88 GABRG2 (0.44) TGFBR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21898518 0.87 TGFBR1 (0.36) TGFBR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22156879 0.86 CYP11B2 (0.40) GABRG2GABRB3GABRA5GABRA3GABRA1

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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 TGFBR1 2276/4885GABRG2 2454/4885GABRB3 1289/4885

“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.