SCHEMBL21546979

SCHEMBL21546979

N#Cc1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(C(F)(F)F)cc2-n2c3cc(-c4cccc(-c5ccccc5)n4)ccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.39
PDK2 Q15119 1/20 0.39
ACP1 P24666 1/20 0.38
ENPP1 P22413 1/20 0.37
SCN9A Q15858 3/20 0.35
CTSS P25774 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
IDO1 P14902 1/20 0.34
PTPN5 P54829 1/20 0.34

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
SCHEMBL22760749 0.97 ACP1 (0.38) ALDH1A3PDK2ACP1ENPP1SCN9A
SCHEMBL21546751 0.93 ALDH1A3 (0.40) ALDH1A3PDK2ACP1ENPP1SCN9A
SCHEMBL21546977 0.92 ALDH1A3 (0.39) ALDH1A3PDK2ACP1ENPP1SCN9A
SCHEMBL21547008 0.92 ACP1 (0.38) ALDH1A3PDK2ACP1ENPP1SCN9A
SCHEMBL21546743 0.91 ACP1 (0.39) ALDH1A3PDK2ACP1ENPP1SCN9A
SCHEMBL22760986 0.90 PTPN5 (0.42) ALDH1A3PDK2ACP1ENPP1GABRA1
SCHEMBL22562327 0.90 ALDH1A3 (0.36) ALDH1A3PDK2ACP1SCN9ACTSS
SCHEMBL22562310 0.89 ALDH1A3 (0.42) ALDH1A3PDK2ACP1ENPP1SCN9A
SCHEMBL22760825 0.89 CYP1A2 (0.41) ALDH1A3PDK2ACP1ENPP1KDM4E
SCHEMBL22761052 0.89 PDK2 (0.40) PDK2ENPP1PTPN5

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 2517/4885ACP1 3946/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ALDH1A3 39/4885PDK2 2517/4885ACP1 3946/4885

“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.