SCHEMBL22760873

SCHEMBL22760873

N#Cc1cccc(-c2cc(-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c(C#N)cc2-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.39
PTPN5 P54829 1/20 0.38
MAT2A P31153 1/20 0.38
RXRA P19793 1/20 0.36
RXRG P48443 1/20 0.36
CETP P11597 1/20 0.36
PDK2 Q15119 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
TRPA1 O75762 1/20 0.35
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
PGR P06401 1/20 0.34
SYK P43405 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAP4K4 O95819 1/20 0.33
XDH P47989 1/20 0.33
CCR6 P51684 1/20 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
SCHEMBL22760613 0.97 PTPN5 (0.38) ENPP1PTPN5MAT2ARXRARXRG
SCHEMBL19903683 0.97 PTPN5 (0.38) ENPP1PTPN5MAT2ARXRARXRG
SCHEMBL22822264 0.95 PTPN5 (0.38) ENPP1PTPN5MAT2ARXRARXRG
SCHEMBL19917919 0.94 PTPN5 (0.39) ENPP1PTPN5MAT2ARXRARXRG
SCHEMBL22760813 0.93 PTPN5 (0.38) ENPP1PTPN5MAT2ARXRARXRG
SCHEMBL22822143 0.92 PTPN5 (0.39) ENPP1PTPN5MAT2ARXRARXRG
SCHEMBL21546651 0.92 ENPP1 (0.39) ENPP1PTPN5MAT2ARXRARXRG
SCHEMBL21546650 0.91 PTPN5 (0.38) ENPP1PTPN5MAT2ARXRARXRG
SCHEMBL22761122 0.91 PTPN5 (0.38) ENPP1PTPN5MAT2ARXRARXRG
SCHEMBL19917996 0.91 RXRA (0.41) RXRARXRGXDH

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 2 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

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 ENPP1 2388/4885PTPN5 4550/4885MAT2A 1149/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ENPP1 2388/4885PTPN5 4550/4885MAT2A 1149/4885

“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.