SCHEMBL20848491

SCHEMBL20848491

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PGR P06401 1/20 0.32
NSD2 O96028 1/20 0.32
PDK2 Q15119 1/20 0.31
AR P10275 3/20 0.31
PTPN5 P54829 1/20 0.31
KDM1A O60341 2/20 0.30
ELANE P08246 2/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 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
SCHEMBL20848908 0.95 KIF11 (0.36) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL20849191 0.95 KIF11 (0.35) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL20848542 0.94 KIF11 (0.33) KIF11PTGDR2AR
SCHEMBL20848781 0.94 KIF11 (0.33) KIF11PTGDR2AR
SCHEMBL22985479 0.94 KIF11 (0.34) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL22985027 0.94 KIF11 (0.41) KIF11PGRNSD2PDK2AR
SCHEMBL20848950 0.94 PTPN5 (0.36) KIF11PTGDR2PDK2PTPN5ELANE
SCHEMBL20848811 0.93 AR (0.33) KIF11PTGDR2ARELANE
SCHEMBL20848964 0.93 AR (0.33) KIF11PTGDR2ARELANE
SCHEMBL20849190 0.93 KIF11 (0.33) KIF11PTGDR2PDK2ARPTPN5

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 419/4885DGAT1 1751/4885SOAT1 2101/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 KIF11 419/4885DGAT1 1751/4885SOAT1 2101/4885

“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.