SCHEMBL21898524

SCHEMBL21898524

N#Cc1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4n(-c4cc(-c5c(C(F)(F)F)cccc5C(F)(F)F)c(-n5c6cc(-c7cc(C#N)cc(C#N)c7)ccc6c6ccc(-c7cc(C#N)cc(C#N)c7)cc65)cc4C#N)c3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.37
PGR P06401 6/20 0.34
KIF11 P52732 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
ACP1 P24666 1/20 0.32
TRPA1 O75762 1/20 0.32
ENPP1 P22413 1/20 0.31

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
SCHEMBL20624373 0.97 AR (0.37) ARPGRKIF11EGLN2ACP1
SCHEMBL20623697 0.94 AR (0.38) ARPGRKIF11EGLN2ACP1
SCHEMBL20611518 0.93 AR (0.36) ARPGRKIF11EGLN2ACP1
SCHEMBL21898849 0.93 AR (0.38) ARPGRKIF11EGLN2ACP1
SCHEMBL20624366 0.93 KIF11 (0.41) ARPGRKIF11EGLN2ACP1
SCHEMBL21898552 0.92 AR (0.38) ARPGRKIF11EGLN2ACP1
SCHEMBL21898829 0.91 AR (0.37) ARPGRACP1TRPA1ENPP1
SCHEMBL20624357 0.91 AR (0.37) ARPGRKIF11EGLN2ACP1
SCHEMBL20623739 0.91 AR (0.37) ARPGRKIF11EGLN2ACP1
SCHEMBL21898720 0.90 AR (0.37) ARPGREGLN2TRPA1

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-11661412-B2 Organic molecules for use in organic optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-30 US disclosed
US-20200123131-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-23 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-20200123131-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, AOC3, MT-CO3 AR 4468/4885PGR 3332/4885KIF11 3795/4885
US-11661412-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, AOX1 AR 4596/4885PGR 3430/4885KIF11 3254/4885

“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.