SCHEMBL21399735

SCHEMBL21399735

N#Cc1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4C#N)ccc2n3-c2ccc(C#N)cc2-c2c(-n3c4ccc(-c5c(C#N)cc(C#N)cc5C#N)cc4c4cc(-c5c(C#N)cc(C#N)cc5C#N)ccc43)cccc2C(F)(F)F)c(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.37
KIF11 P52732 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
PGR P06401 3/20 0.32
ACP1 P24666 1/20 0.30
CASP3 P42574 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
SCHEMBL21399751 0.96 AR (0.36) ARKIF11EGLN2PGRACP1
SCHEMBL20848957 0.94 AR (0.39) ARKIF11EGLN2PGRACP1
SCHEMBL21399655 0.93 AR (0.38) ARKIF11EGLN2PGR
SCHEMBL20849266 0.91 AR (0.37) ARKIF11EGLN2PGR
SCHEMBL20849382 0.91 AR (0.37) ARKIF11EGLN2PGR
SCHEMBL21399734 0.91 KIF11 (0.36) ARKIF11PGRACP1CASP3
SCHEMBL21399656 0.91 KIF11 (0.42) ARKIF11PGRACP1CASP3
SCHEMBL21399798 0.90 AR (0.42) ARPGRACP1
SCHEMBL20849444 0.90 AR (0.37) ARKIF11EGLN2PGRACP1
SCHEMBL21399797 0.90 PDK2 (0.37) ARKIF11PGRACP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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 (1 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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NR2E3, FOXO3 AR 1991/4885KIF11 4281/4885EGLN2 3190/4885

“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.