SCHEMBL21399653

SCHEMBL21399653

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2c(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)cccc2C(F)(F)F)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.38
PGR P06401 2/20 0.34
STS P08842 1/20 0.33
ACP1 P24666 1/20 0.32
TRPA1 O75762 1/20 0.31
RORC P51449 1/20 0.31
PTGER4 P35408 1/20 0.31
KIF11 P52732 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
SCHEMBL21399655 0.96 AR (0.38) ARPGRSTSKIF11
SCHEMBL21399524 0.94 AR (0.40) ARPGRACP1TRPA1RORC
SCHEMBL20849458 0.94 AR (0.39) ARPGRSTSACP1TRPA1
SCHEMBL20849244 0.94 AR (0.36) ARPGRSTSACP1
SCHEMBL21399751 0.94 AR (0.36) ARPGRACP1RORCPTGER4
SCHEMBL20848470 0.93 AR (0.38) ARPGRSTSACP1TRPA1
SCHEMBL21399798 0.92 AR (0.42) ARPGRACP1TRPA1
SCHEMBL20849167 0.91 AR (0.38) ARPGRSTSACP1TRPA1
SCHEMBL21399654 0.91 KIF11 (0.39) ARACP1RORCPTGER4KIF11
SCHEMBL20849457 0.90 AR (0.39) ARPGRSTSACP1KIF11

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 1956/4885STS 854/4885

“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.