SCHEMBL20848880

SCHEMBL20848880

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cccc(C#N)c2-c2c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cccc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
AR P10275 10/20 0.34
PDK2 Q15119 1/20 0.34
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM1A O60341 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
PGR P06401 1/20 0.32
MAT2A P31153 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL20848867 0.94 MAT2A (0.38) ARPDK2PTGDR2PGRMAT2A
SCHEMBL22985043 0.94 AR (0.37) KIF11ARPTGDR2PGRMAT2A
SCHEMBL22985150 0.93 KIF11 (0.39) KIF11ARPDK2PGRPDE3B
SCHEMBL20848818 0.93 ALOX5AP (0.35) KIF11ARKDM1APTGDR2PGR
SCHEMBL22985319 0.93 KIF11 (0.40) KIF11ARPDK2DGAT1SOAT1
SCHEMBL20848860 0.92 MAT2A (0.33) KIF11ARMAT2A
SCHEMBL20848788 0.92 AR (0.42) ARPGRPDE3BPDE3A
SCHEMBL20848501 0.92 AR (0.35) ARPGRPDE3BPDE3A
SCHEMBL20848857 0.92 MAT2A (0.33) KIF11ARMAT2A
SCHEMBL20848515 0.91 AR (0.35) KIF11ARPGRPDE3BPDE3A

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.