SCHEMBL16485035

SCHEMBL16485035

N#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(N(c3ccccc3)c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
PDK2 Q15119 1/20 0.34
MYC P01106 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MCL1 Q07820 2/20 0.32
BCL2 P10415 1/20 0.32
KAT6A Q92794 1/20 0.32
TDO2 P48775 1/20 0.32
ADRA2C P18825 1/20 0.32
SCN9A Q15858 1/20 0.31
PARP14 Q460N5 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 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
SCHEMBL16485034 0.95 ABCG2 (0.36) PRKDCGABRA1GABRG2GABRB3GABRA5
SCHEMBL17012386 0.95 PDK2 (0.38) PRKDCGABRA1GABRG2GABRB3GABRA5
SCHEMBL16484658 0.94 PDK2 (0.34) PRKDCGABRA1GABRG2GABRB3GABRA5
SCHEMBL16485040 0.93 ABCG2 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17012365 0.92 PDK2 (0.32) PRKDCGABRA1GABRG2GABRB3GABRA5
SCHEMBL16484563 0.92 PDK2 (0.37) PRKDCGABRA1GABRG2GABRB3GABRA5
SCHEMBL16485048 0.92 ABCG2 (0.36) PRKDCPDK2ABCG2ALDH1A1ADRA2C
SCHEMBL16484641 0.91 PRKDC (0.33) PRKDCGABRA1GABRG2GABRB3GABRA5
SCHEMBL17012364 0.91 ADRA2C (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23764199 0.89 KDM4E (0.32) PRKDCALDH1A1

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 6 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
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 PRKDC 3703/4885GABRA1 4416/4885GABRG2 4218/4885

“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.