SCHEMBL21547014

SCHEMBL21547014

N#Cc1cccc(-c2cc(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c(C(F)(F)F)c(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.44
PDK2 Q15119 1/20 0.41
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA3 P34903 4/20 0.40
GABRA1 P14867 1/20 0.40
PTPN5 P54829 1/20 0.38
CTSS P25774 1/20 0.38
GRM2 Q14416 1/20 0.38
SYK P43405 1/20 0.36
ADORA2A P29274 2/20 0.36
MAT2A P31153 1/20 0.36
MAP4K4 O95819 1/20 0.36
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL21547046 0.97 ALDH1A3 (0.42) ALDH1A3PDK2GABRG2GABRB3GABRA5
SCHEMBL22562326 0.94 ALDH1A3 (0.39) ALDH1A3PDK2GABRG2GABRB3GABRA5
SCHEMBL22562280 0.92 MYC (0.42) ALDH1A3PDK2GABRG2GABRB3GABRA5
SCHEMBL21547044 0.92 ALDH1A3 (0.44) ALDH1A3PDK2GABRG2GABRB3GABRA5
SCHEMBL22761025 0.91 ALDH1A3 (0.42) ALDH1A3PDK2GABRG2GABRB3GABRA5
SCHEMBL22562254 0.91 ALDH1A3 (0.38) ALDH1A3PDK2GABRG2GABRB3GABRA5
SCHEMBL22562442 0.90 CTSS (0.38) ALDH1A3PDK2GABRG2GABRB3GABRA5
SCHEMBL21547123 0.90 PTPN5 (0.46) ALDH1A3PDK2GABRG2GABRB3GABRA5
SCHEMBL21546866 0.89 PTPN5 (0.43) ALDH1A3PDK2GABRG2GABRB3GABRA5
SCHEMBL21546805 0.88 ALDH1A3 (0.46) ALDH1A3GABRG2GABRB3GABRA5GABRA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 EP 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM ALDH1A3 39/4885PDK2 2517/4885GABRG2 1767/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ALDH1A3 39/4885PDK2 2517/4885GABRG2 1767/4885

“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.