SCHEMBL25658385

SCHEMBL25658385

N#Cc1ccc(-c2ccc(F)c(C#N)c2F)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.45
TRPV4 Q9HBA0 1/20 0.43
AR P10275 4/20 0.42
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
PDK2 Q15119 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
EGLN2 Q96KS0 2/20 0.35
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL20111529 0.85 AR (0.39) KIF11ARGAAGLAPOLB
SCHEMBL7604551 0.83 TRPV4 (0.56) KIF11TRPV4ARGAAGLA
SCHEMBL20617129 0.81 AR (0.45) ARGAAGLAKDM4EALDH1A1
SCHEMBL25658384 0.80 KIF11 (0.54) KIF11TRPV4ARGAAGLA
SCHEMBL29421437 0.78 KIF11 (0.58) KIF11TRPV4ARPTGDR2CYP3A4
SCHEMBL185191 0.78 KIF11 (0.58) KIF11TRPV4ARPTGDR2CYP3A4
SCHEMBL25658407 0.77 KIF11 (0.46) KIF11TRPV4ARGAAGLA
SCHEMBL25658392 0.76 KIF11 (0.49) KIF11TRPV4ARGAAGLA
SCHEMBL25658402 0.76 KIF11 (0.45) KIF11TRPV4ARGAAGLA
SCHEMBL21898619 0.75 AR (0.36) KIF11ARGAAGLAPDK2

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 3 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
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 3288/4885TRPV4 243/4885AR 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.