SCHEMBL20848778

SCHEMBL20848778

N#Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.37
PTPN5 P54829 1/20 0.36
AR P10275 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
PDK2 Q15119 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CYP2C9 P11712 1/20 0.33
SCN9A Q15858 1/20 0.33
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CETP P11597 1/20 0.32
GABRA1 P14867 1/20 0.31

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
SCHEMBL20848777 0.97 KIF11 (0.35) KIF11PTPN5ARPTGDR2EDNRB
SCHEMBL20848416 0.96 KIF11 (0.37) KIF11PTPN5ARPTGDR2EDNRB
SCHEMBL20848902 0.96 KIF11 (0.39) KIF11PTPN5ARPTGDR2EDNRB
SCHEMBL20848705 0.96 KIF11 (0.39) KIF11PTPN5ARPTGDR2EDNRB
SCHEMBL20848719 0.95 KIF11 (0.42) KIF11PTPN5ARPTGDR2PDK2
SCHEMBL20848720 0.94 KIF11 (0.38) KIF11PTPN5ARPTGDR2EDNRB
SCHEMBL22985057 0.94 KIF11 (0.38) KIF11PTPN5ARPDK2GABRA1
SCHEMBL20848471 0.94 KIF11 (0.39) KIF11ARPTGDR2EDNRBEDNRA
SCHEMBL20848704 0.93 KIF11 (0.36) KIF11PTPN5ARPTGDR2EDNRB
SCHEMBL20848901 0.93 KIF11 (0.36) KIF11PTPN5ARPTGDR2EDNRB

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 KIF11 419/4885PTPN5 4494/4885AR 3706/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 KIF11 419/4885PTPN5 4494/4885AR 3706/4885

“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.