SCHEMBL17012327

SCHEMBL17012327

c1ccc(N(c2cc(-c3ccccn3)cc(-c3ccccn3)c2)c2cccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.36
▸ TGFBR1 P36897 5/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ MAPK1 P28482 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ METAP1 P53582 2/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 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
SCHEMBL17012319 0.95 PRKDC (0.37) PRKDCTGFBR1GRM5MAPK1HSD17B10
SCHEMBL16485356 0.93 DHODH (0.35) PRKDCTGFBR1GRM5MAPK1HSD17B10
SCHEMBL17132508 0.93 TGFBR1 (0.38) PRKDCTGFBR1GRM5MAPK1HSD17B10
SCHEMBL17012321 0.92 TGFBR1 (0.36) PRKDCTGFBR1GRM5MAPK1HSD17B10
SCHEMBL16484666 0.92 TGFBR1 (0.36) PRKDCTGFBR1GRM5MAPK1HSD17B10
SCHEMBL16485105 0.91 PRKDC (0.36) PRKDCTGFBR1GRM5MAPK1HSD17B10
SCHEMBL17012397 0.91 KDM4E (0.38) TGFBR1GRM5MAPK1HSD17B10TSHR
SCHEMBL16485340 0.91 PDK2 (0.38) PRKDCTGFBR1GRM5MAPK1HSD17B10
SCHEMBL16484038 0.91 DHODH (0.38) PRKDCTGFBR1GRM5MAPK1HSD17B10
SCHEMBL17012388 0.89 TGFBR1 (0.37) PRKDCTGFBR1GRM5MAPK1HSD17B10

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
EP-2907803-A1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT Toray Industries, Inc. (JP) 2015-08-19 — — 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 (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 3703/4885TGFBR1 2930/4885GRM5 2508/4885

“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.

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