SCHEMBL19909451

SCHEMBL19909451

N#Cc1c(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(-c2ccncc2)cc1-n1c2ccccc2c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.37
MAPK14 Q16539 1/20 0.34
ICMT O60725 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
CYP11B2 P19099 2/20 0.32
CYP11B1 P15538 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE10A Q9Y233 1/20 0.32
EPHX2 P34913 2/20 0.31
NAAA Q02083 1/20 0.31
SQOR Q9Y6N5 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
SCHEMBL19903523 1.00 KIF11 (0.37) KIF11MAPK14ICMTS1PR1S1PR3
SCHEMBL19909449 0.95 KIF11 (0.41) KIF11MAPK14ICMTS1PR1S1PR3
SCHEMBL19909000 0.94 KIF11 (0.37) KIF11MAPK14S1PR1S1PR3RXRA
SCHEMBL19912405 0.93 MAPK14 (0.34) KIF11MAPK14RXRARXRGCYP11B2
SCHEMBL19913191 0.93 MAPK14 (0.34) KIF11MAPK14RXRARXRGCYP11B2
SCHEMBL19903550 0.92 ICMT (0.37) KIF11ICMTRXRARXRGCYP11B2
SCHEMBL19903518 0.91 ICMT (0.37) KIF11ICMTRXRARXRGALDH1A1
SCHEMBL19909343 0.90 KIF11 (0.39) KIF11MAPK14CYP11B2CYP11B1ALDH1A1
SCHEMBL19903456 0.89 KIF11 (0.42) KIF11ICMTRXRARXRG
SCHEMBL19917798 0.88 AR (0.38) KIF11ICMTRXRARXRGALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 US disclosed
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 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 (3 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 KIF11 3067/4885MAPK14 2544/4885ICMT 496/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 KIF11 3082/4885MAPK14 2787/4885ICMT 242/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 KIF11 3067/4885MAPK14 2544/4885ICMT 496/4885

“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.