SCHEMBL17014574

SCHEMBL17014574

c1ccc2c(c1)NC1c3ccccc3-c3ccccc3N21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.43
▸ GPR3 P46089 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PDE6D O43924 4/20 0.36
▸ PBRM1 Q86U86 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ GAA P10253 3/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL20652901 0.85 IDO1 (0.36) IDO1GPR3NPC1RAB9AALDH1A1
SCHEMBL20406934 0.85 NPC1 (0.44) IDO1GPR3NPC1RAB9AALDH1A1
SCHEMBL12545483 0.82 ALDH1A1 (0.36) IDO1NPC1RAB9AALDH1A1ALOX15
SCHEMBL17073557 0.80 GAA (0.38) IDO1NPC1RAB9AALDH1A1MEN1
SCHEMBL12545409 0.79 AKT1 (0.37) IDO1NPC1RAB9AALDH1A1ALOX15
SCHEMBL12545492 0.77 ALDH1A1 (0.33) IDO1ALDH1A1ALOX15CYP1A2CYP3A4
SCHEMBL21419580 0.76 ALDH1A1 (0.34) ALDH1A1ALOX15CYP1A2CYP3A4HIF1A
SCHEMBL22814613 0.76 PDK2 (0.34) IDO1
SCHEMBL18819364 0.76 POLB (0.36) IDO1NPC1RAB9AALDH1A1ALOX15
SCHEMBL22766827 0.75 MEN1 (0.37) ALDH1A1ALOX15CYP1A2CYP3A4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10680182-B2 Fluoranthene compound, and organic electronic device comprising same LG CHEM, LTD. (KR) 2020-06-09 — — US disclosed
WO-2017074053-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2017-05-04 — — WO disclosed
WO-2017074052-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2017-05-04 — — WO disclosed
US-20150236273-A1 FLUORANTHENE COMPOUND, AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2015-08-20 — — US 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 (2 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-10680182-B2 Fluoranthene compound, and organic electronic device comprising same AFF2, ESR1, AFF4 IDO1 4621/4885GPR3 4341/4885NPC1 3434/4885
US-20150236273-A1 FLUORANTHENE COMPOUND, AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME AFF2, ESR1, AFF4 IDO1 4621/4885GPR3 4341/4885NPC1 3434/4885

“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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