SCHEMBL21399751

SCHEMBL21399751

N#Cc1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2c(-n3c4ccccc4c4cc(-c5c(C#N)cc(C#N)cc5C#N)ccc43)cccc2C(F)(F)F)c(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.36
PGR P06401 2/20 0.32
ACP1 P24666 1/20 0.32
RORC P51449 1/20 0.31
PTGER4 P35408 1/20 0.31
KIF11 P52732 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
SLC22A12 Q96S37 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
SCHEMBL21399735 0.96 AR (0.37) ARPGRACP1KIF11EGLN2
SCHEMBL20849444 0.94 AR (0.37) ARPGRACP1RORCPTGER4
SCHEMBL21399653 0.94 AR (0.38) ARPGRACP1RORCPTGER4
SCHEMBL21399524 0.92 AR (0.40) ARPGRACP1RORC
SCHEMBL20849325 0.92 AR (0.35) ARPGRRORCEGLN2
SCHEMBL20849379 0.92 AR (0.35) ARPGRACP1RORCPTGER4
SCHEMBL21399657 0.91 KIF11 (0.33) ARPGRACP1PTGER4KIF11
SCHEMBL21399654 0.91 KIF11 (0.39) ARACP1RORCPTGER4KIF11
SCHEMBL21399799 0.90 PDK2 (0.37) ARACP1PTGER4KIF11SLC22A12
SCHEMBL21399521 0.90 KIF11 (0.36) ARACP1RORCPTGER4KIF11

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 1991/4885PGR 1956/4885ACP1 4600/4885

“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.