SCHEMBL21546838

SCHEMBL21546838

N#Cc1cccc(-c2c(-n3c4ccccc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)cc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
MAT2A P31153 1/20 0.40
ALDH1A3 P47895 1/20 0.39
PDK2 Q15119 1/20 0.36
PTPN5 P54829 1/20 0.36
ADORA2A P29274 1/20 0.36
GRM2 Q14416 1/20 0.36
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
ENPP1 P22413 1/20 0.35
TRPA1 O75762 1/20 0.35
IDO1 P14902 1/20 0.34
CYP1A2 P05177 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 3/20 0.34
KMT2A Q03164 3/20 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
SCHEMBL22760841 0.95 CTSS (0.39) CTSSMAT2AALDH1A3PDK2PTPN5
SCHEMBL22562456 0.95 ALDH1A3 (0.41) CTSSMAT2AALDH1A3PDK2PTPN5
SCHEMBL22564380 0.93 CTSS (0.42) CTSSMAT2AALDH1A3PDK2PTPN5
SCHEMBL22562305 0.92 ALDH1A3 (0.43) CTSSMAT2AALDH1A3PDK2PTPN5
SCHEMBL22562484 0.91 CTSS (0.36) CTSSMAT2AALDH1A3PDK2PTPN5
SCHEMBL22822206 0.90 CTSS (0.44) CTSSMAT2AALDH1A3PDK2PTPN5
SCHEMBL22562573 0.90 CTSS (0.39) CTSSMAT2AALDH1A3PDK2ADORA2A
SCHEMBL21546627 0.90 ALDH1A3 (0.43) ALDH1A3ADORA2AGRM2GABRA1GABRG2
SCHEMBL21547088 0.90 PTPN5 (0.45) MAT2AALDH1A3PDK2PTPN5ADORA2A
SCHEMBL21547130 0.90 PTPN5 (0.44) MAT2AALDH1A3PDK2PTPN5ADORA2A

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 CTSS 3835/4885MAT2A 1149/4885ALDH1A3 39/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM CTSS 3835/4885MAT2A 1149/4885ALDH1A3 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.