SCHEMBL19909093

SCHEMBL19909093

N#Cc1cc(-n2c3ccccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(-c2ccncc2)c(-n2c3ccccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
KIF11 P52732 3/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
MAPK14 Q16539 3/20 0.33
AR P10275 1/20 0.33
FLT3 P36888 2/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP2C9 P11712 1/20 0.32
SCN9A Q15858 1/20 0.32
EPHX2 P34913 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
RIPK3 Q9Y572 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP3A5 P20815 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
SCHEMBL19919811 0.95 ALOX5AP (0.36) S1PR1S1PR3KIF11ALOX5APFEN1
SCHEMBL19913164 0.95 S1PR1 (0.35) S1PR1S1PR3KIF11ALOX5APFEN1
SCHEMBL19909106 0.94 S1PR1 (0.35) S1PR1S1PR3KIF11ALOX5APFEN1
SCHEMBL21414126 0.91 KIF11 (0.36) KIF11ALOX5APFEN1ARCYP2C9
SCHEMBL20112037 0.91 KIF11 (0.38) S1PR1S1PR3KIF11ALOX5APFEN1
SCHEMBL22170411 0.90 S1PR1 (0.35) S1PR1S1PR3KIF11ALOX5APFEN1
SCHEMBL20617424 0.90 KIF11 (0.36) KIF11ALOX5APFEN1ARCYP2C9
SCHEMBL19903522 0.90 KIF11 (0.36) KIF11ALOX5APFEN1ARCYP2C9
SCHEMBL19909340 0.90 ALOX5AP (0.36) S1PR1S1PR3KIF11ALOX5APFEN1
SCHEMBL19908947 0.90 KIF11 (0.42) KIF11MAPK14CYP19A1CYP11B1CYP11B2

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 S1PR1 2957/4885S1PR3 1488/4885KIF11 3067/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 S1PR1 4351/4885S1PR3 3182/4885KIF11 3082/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 S1PR1 2957/4885S1PR3 1488/4885KIF11 3067/4885

“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.