SCHEMBL16484086

SCHEMBL16484086

c1ccc(-c2ccc(N(c3ccncc3)c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.37
IMPDH2 P12268 1/20 0.36
TNF P01375 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
NOTUM Q6P988 1/20 0.35
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP11B1 P15538 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
SCHEMBL16485364 0.97 PIK3CA (0.40) PIK3CAIMPDH2TNFMKNK1NOTUM
SCHEMBL17132511 0.96 PIK3CA (0.38) PIK3CAIMPDH2TNFMKNK1NOTUM
SCHEMBL16484688 0.96 PIK3CA (0.38) PIK3CAIMPDH2TNFMKNK1NOTUM
SCHEMBL16483884 0.96 TNF (0.38) PIK3CAIMPDH2TNFMKNK1NOTUM
SCHEMBL16484655 0.95 CRHBP (0.37) PIK3CAIMPDH2TNFNOTUMCRHBP
SCHEMBL16483933 0.95 CRHBP (0.37) PIK3CAIMPDH2TNFNOTUMCRHBP
SCHEMBL16485359 0.94 PIK3CA (0.45) PIK3CAIMPDH2TNFMKNK1NOTUM
SCHEMBL17012326 0.94 PIK3CA (0.41) PIK3CAIMPDH2TNFMKNK1NOTUM
SCHEMBL16484617 0.92 TNF (0.42) PIK3CAIMPDH2TNFMKNK1NOTUM
SCHEMBL16484093 0.92 CYP11B1 (0.41) PIK3CATNFMKNK1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2907803-B1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT TORAY INDUSTRIES (JP) 2021-08-18 EP disclosed
US-9935273-B2 Fluoranthene derivative, light-emitting device material containing same, and light-emitting device TORAY INDUSTRIES, INC. (JP) 2018-04-03 US disclosed
US-9935273-B2 Fluoranthene derivative, light-emitting device material containing same, and light-emitting device TORAY INDUSTRIES, INC. (JP) 2018-04-03 US disclosed
US-20150280139-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING DEVICE MATERIAL CONTAINING SAME, AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2015-10-01 US disclosed
US-20150280139-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING DEVICE MATERIAL CONTAINING SAME, AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2015-10-01 US disclosed
EP-2907803-A1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT Toray Industries, Inc. (JP) 2015-08-19 EP disclosed
WO-2014057874-A1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT 東レ株式会社 (JP) 2014-04-17 WO 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-20150280139-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING DEVICE MATERIAL CONTAINING SAME, AND LIGHT-EMITTING DEVICE FMNL1, AFF2, LEF1 PIK3CA 4361/4885IMPDH2 3255/4885TNF 3654/4885

“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.