SCHEMBL20848946

SCHEMBL20848946

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2-c2ccc(C#N)cc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
PTPN5 P54829 1/20 0.38
RXRA P19793 1/20 0.37
RXRG P48443 1/20 0.37
CETP P11597 1/20 0.37
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
MAT2A P31153 1/20 0.36
KIF11 P52732 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MAP4K4 O95819 1/20 0.34
ENPP1 P22413 1/20 0.33
PRF1 P14222 1/20 0.33
TRPA1 O75762 1/20 0.33
CHEK1 O14757 1/20 0.33
PGR P06401 1/20 0.33
ICMT O60725 1/20 0.32
SYK P43405 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL20848897 0.96 PDK2 (0.39) PDK2PTPN5RXRARXRGCETP
SCHEMBL20849229 0.96 PDK2 (0.39) PDK2PTPN5RXRARXRGCETP
SCHEMBL20848903 0.96 PDK2 (0.40) PDK2PTPN5RXRARXRGCETP
SCHEMBL20849106 0.95 PTPN5 (0.40) PDK2PTPN5RXRARXRGCETP
SCHEMBL20848447 0.94 RXRA (0.39) PDK2PTPN5RXRARXRGGRIN1
SCHEMBL20849173 0.94 RXRA (0.41) PDK2PTPN5RXRARXRGCETP
SCHEMBL20849329 0.93 KIF11 (0.43) PDK2PTPN5RXRARXRGKIF11
SCHEMBL20848865 0.92 KIF11 (0.38) PDK2RXRARXRGGRIN1GRIN2B
SCHEMBL20849583 0.92 PDK2 (0.39) PDK2PTPN5RXRARXRGCETP
SCHEMBL21399767 0.92 PTPN5 (0.42) PDK2PTPN5CETPGRIN1GRIN2B

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-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 PDK2 1574/4885PTPN5 4494/4885RXRA 1822/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 PDK2 1574/4885PTPN5 4494/4885RXRA 1822/4885

“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.