SCHEMBL21546743

SCHEMBL21546743

N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(-n3c4ccccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)cc2C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.39
ENPP1 P22413 1/20 0.38
ALDH1A3 P47895 1/20 0.38
PDK2 Q15119 1/20 0.37
ADORA2A P29274 1/20 0.35
SCN9A Q15858 3/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
CTSS P25774 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP11B2 P19099 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.33

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
SCHEMBL21546751 0.97 ALDH1A3 (0.40) ACP1ENPP1ALDH1A3PDK2ADORA2A
SCHEMBL21546757 0.94 ACP1 (0.39) ACP1ENPP1ALDH1A3PDK2ADORA2A
SCHEMBL22760749 0.94 ACP1 (0.38) ACP1ENPP1ALDH1A3PDK2ADORA2A
SCHEMBL22562310 0.92 ALDH1A3 (0.42) ACP1ENPP1ALDH1A3PDK2SCN9A
SCHEMBL21546753 0.92 ALDH1A3 (0.40) ACP1ENPP1ALDH1A3PDK2SCN9A
SCHEMBL21546979 0.91 ALDH1A3 (0.39) ACP1ENPP1ALDH1A3PDK2ADORA2A
SCHEMBL22562408 0.91 ACP1 (0.39) ACP1ENPP1ALDH1A3PDK2SCN9A
SCHEMBL21546792 0.90 PTPN5 (0.41) ACP1ENPP1ALDH1A3PDK2ADORA2A
SCHEMBL22761067 0.90 PDK2 (0.40) ACP1ENPP1ALDH1A3PDK2GABRG2
SCHEMBL22760850 0.90 CYP1A2 (0.42) ACP1ENPP1ALDH1A3ADORA2AALDH1A1

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 ACP1 3946/4885ENPP1 2388/4885ALDH1A3 39/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ACP1 3946/4885ENPP1 2388/4885ALDH1A3 39/4885

“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.