SCHEMBL20848908

SCHEMBL20848908

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.36
PDK2 Q15119 1/20 0.33
PDPK1 O15530 1/20 0.33
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
AR P10275 1/20 0.32
PTPN5 P54829 2/20 0.31
PTGER4 P35408 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PGR P06401 1/20 0.30
ELANE P08246 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
SCHEMBL20849190 0.97 KIF11 (0.33) KIF11PDK2PDPK1ARPTPN5
SCHEMBL20848951 0.96 AR (0.32) KIF11PDPK1ARPTGER4ELANE
SCHEMBL20848491 0.95 KIF11 (0.40) KIF11PDK2DGAT1SOAT1KCNH2
SCHEMBL20848893 0.95 AR (0.34) KIF11ARPTGER4ELANE
SCHEMBL20848512 0.95 KIF11 (0.31) KIF11PDPK1PTPN5PGR
SCHEMBL20848780 0.95 PTPN5 (0.36) KIF11PDK2PDPK1PTPN5PTGDR2
SCHEMBL20848782 0.95 KIF11 (0.31) KIF11PDPK1
SCHEMBL22985482 0.95 AR (0.32) KIF11PDPK1ARELANE
SCHEMBL20849191 0.95 KIF11 (0.35) KIF11PDK2DGAT1SOAT1KCNH2
SCHEMBL22985029 0.95 KIF11 (0.37) KIF11PDK2PDPK1ARPTGER4

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 1574/4885PDPK1 3432/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 KIF11 419/4885PDK2 1574/4885PDPK1 3432/4885

“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.