SCHEMBL20849583

SCHEMBL20849583

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3cc(-c4cccc(C#N)c4)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
PTPN5 P54829 1/20 0.38
CETP P11597 1/20 0.35
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
MAT2A P31153 1/20 0.34
ENPP1 P22413 1/20 0.33
PRF1 P14222 1/20 0.33
CHEK1 O14757 1/20 0.33
ICMT O60725 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
TACR1 P25103 2/20 0.32
KIF11 P52732 1/20 0.32
MAP4K4 O95819 1/20 0.32
PTGER4 P35408 1/20 0.32
SGK1 O00141 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) PDK2PTPN5CETPRXRARXRG
SCHEMBL20849229 0.96 PDK2 (0.39) PDK2PTPN5CETPRXRARXRG
SCHEMBL20849579 0.96 RXRA (0.35) PDK2PTPN5RXRARXRGICMT
SCHEMBL20849152 0.95 RXRA (0.38) PDK2PTPN5CETPRXRARXRG
SCHEMBL20848764 0.95 RXRA (0.38) PDK2PTPN5RXRARXRGICMT
SCHEMBL20849108 0.95 PTPN5 (0.40) PDK2PTPN5CETPRXRARXRG
SCHEMBL20848855 0.94 KIF11 (0.39) PDK2PTPN5RXRARXRGICMT
SCHEMBL20848771 0.94 RXRA (0.35) PDK2PTPN5RXRARXRGICMT
SCHEMBL20848903 0.92 PDK2 (0.40) PDK2PTPN5CETPRXRARXRG
SCHEMBL20849008 0.92 RXRA (0.36) PDK2PTPN5RXRARXRGICMT

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 4494/4885CETP 905/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 PDK2 1574/4885PTPN5 4494/4885CETP 905/4885

“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.