SCHEMBL16484609

SCHEMBL16484609

c1cncc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
CYP11B2 P19099 4/20 0.48
CYP11B1 P15538 2/20 0.45
KIF11 P52732 1/20 0.45
CYP17A1 P05093 1/20 0.45
CYP19A1 P11511 1/20 0.45
APP P05067 1/20 0.43
DHODH Q02127 1/20 0.43
AOC3 Q16853 2/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL14425691 0.95 KDM4E (0.46) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL12613481 0.94 KDM4E (0.44) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL19654636 0.93 KDM4E (0.43) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL19276004 0.91 KDM4E (0.46) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL16521310 0.91 KDM4E (0.46) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL20023668 0.90 KDM4E (0.45) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL19762218 0.90 KDM4E (0.49) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL21365190 0.90 KDM4E (0.45) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL31732139 0.90 KDM4E (0.41) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL18790308 0.90 KDM4E (0.49) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E

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 CYP2A6 2007/4885ALDH1A1 1031/4885CYP1A2 563/4885

“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.