SCHEMBL20849445

SCHEMBL20849445

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2ccc(C#N)cc2-c2cc(-c3c(C(F)(F)F)cccc3C(F)(F)F)ccc2-n2c3ccc(-c4cc(C#N)cc(C#N)c4)cc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
AR P10275 5/20 0.34
PDK2 Q15119 1/20 0.33
PTPN5 P54829 1/20 0.33
PGR P06401 2/20 0.32
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
MAT2A P31153 1/20 0.32
ACP1 P24666 1/20 0.31
SLC22A12 Q96S37 2/20 0.31
MAP4K4 O95819 2/20 0.31
TRPV4 Q9HBA0 1/20 0.31
XDH P47989 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
SCHEMBL20849446 0.96 KIF11 (0.34) KIF11ARPDK2PTPN5PGR
SCHEMBL20849288 0.95 KIF11 (0.35) KIF11ARPDK2PTPN5RXRA
SCHEMBL20849378 0.95 KIF11 (0.35) KIF11ARPDK2PTPN5PGR
SCHEMBL21399734 0.94 KIF11 (0.36) KIF11ARPDK2PTPN5PGR
SCHEMBL20848555 0.92 KIF11 (0.38) KIF11ARPGRMAT2AACP1
SCHEMBL20848611 0.92 KIF11 (0.36) KIF11ARPTPN5RXRARXRG
SCHEMBL20849638 0.91 KIF11 (0.40) KIF11ARPDK2PTPN5PGR
SCHEMBL20849131 0.91 PDK2 (0.34) KIF11ARPDK2PTPN5PGR
SCHEMBL20849112 0.91 AR (0.40) KIF11ARPGRMAT2AACP1
SCHEMBL20848957 0.90 AR (0.39) KIF11ARPGRACP1SLC22A12

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 419/4885AR 3706/4885PDK2 1574/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 KIF11 419/4885AR 3706/4885PDK2 1574/4885

“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.