SCHEMBL20848720

SCHEMBL20848720

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.38
PDK2 Q15119 1/20 0.34
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
KCNH2 Q12809 1/20 0.33
AR P10275 1/20 0.33
PTPN5 P54829 2/20 0.33
PTGER4 P35408 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
RORC P51449 1/20 0.31
NSD2 O96028 1/20 0.31
CYP2C9 P11712 1/20 0.31
SCN9A Q15858 1/20 0.31
PDPK1 O15530 1/20 0.30

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) KIF11PDK2DGAT1SOAT1KCNH2
SCHEMBL20848466 0.97 KIF11 (0.35) KIF11DGAT1SOAT1KCNH2AR
SCHEMBL20848444 0.96 KIF11 (0.38) KIF11PDK2DGAT1SOAT1KCNH2
SCHEMBL22985329 0.96 KIF11 (0.34) KIF11ARPTGER4ALOX5APFEN1
SCHEMBL20849136 0.96 KIF11 (0.40) KIF11PDK2DGAT1SOAT1KCNH2
SCHEMBL20848701 0.96 KIF11 (0.40) KIF11PDK2DGAT1SOAT1KCNH2
SCHEMBL21399774 0.95 KIF11 (0.35) KIF11DGAT1SOAT1KCNH2AR
SCHEMBL20849522 0.95 KIF11 (0.35) KIF11DGAT1SOAT1KCNH2AR
SCHEMBL20848776 0.95 KIF11 (0.35) KIF11DGAT1SOAT1KCNH2AR
SCHEMBL20848719 0.95 KIF11 (0.42) KIF11PDK2DGAT1SOAT1KCNH2

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 419/4885PDK2 1574/4885DGAT1 1751/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 KIF11 419/4885PDK2 1574/4885DGAT1 1751/4885

“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.