SCHEMBL25658583

SCHEMBL25658583

N#Cc1ccc(-c2cc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c(C#N)cc2-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
RORC P51449 4/20 0.35
AR P10275 6/20 0.35
ELANE P08246 2/20 0.34
TRPA1 O75762 1/20 0.34
SCN9A Q15858 3/20 0.33
ACP1 P24666 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL20111849 0.96 KIF11 (0.36) KIF11RORCARELANETRPA1
SCHEMBL25658594 0.96 AR (0.35) KIF11ARELANE
SCHEMBL26776751 0.94 ELANE (0.35) KIF11RORCARELANESCN9A
SCHEMBL26776719 0.94 AR (0.37) KIF11RORCARTRPA1
SCHEMBL20111853 0.94 KIF11 (0.39) KIF11RORCARTRPA1SCN9A
SCHEMBL25658577 0.94 TRPA1 (0.36) RORCARTRPA1SCN9AACP1
SCHEMBL25658685 0.93 AR (0.38) KIF11RORCARELANETRPA1
SCHEMBL20111859 0.93 KIF11 (0.38) KIF11RORCARELANETRPA1
SCHEMBL20111857 0.91 AR (0.36) KIF11ARELANE
SCHEMBL20111584 0.91 KIF11 (0.40) KIF11RORCARTRPA1SCN9A

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-11825743-B2 Organic molecules for use in organic optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-21 US disclosed
EP-3585777-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2023-05-10 EP 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-11825743-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OCIAD2 KIF11 3288/4885RORC 2049/4885AR 4630/4885

“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.