SCHEMBL10304591

SCHEMBL10304591

c1ccc(-c2nc(N(c3ccccc3)c3ccccc3)nc(N(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 3/20 0.49
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
ADORA3 P0DMS8 2/20 0.45
ADORA2B P29275 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PDE5A O76074 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
JAK2 O60674 1/20 0.43
MAPK1 P28482 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 3/20 0.41

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
SCHEMBL6633851 0.96 ALDH1A1 (0.55) ALDH1A1TDP1MAPTADORA2AADORA1
SCHEMBL12073734 0.91 ALDH1A1 (0.50) ALDH1A1TDP1MAPTADORA2AADORA1
SCHEMBL11892557 0.89 ALDH1A1 (0.46) ALDH1A1TDP1MAPTADORA2AADORA1
SCHEMBL11892558 0.89 ALDH1A1 (0.46) ALDH1A1TDP1MAPTADORA2AADORA1
SCHEMBL10247277 0.88 ALDH1A1 (0.48) ALDH1A1TDP1MAPTADORA2AADORA1
SCHEMBL12460943 0.88 ALDH1A1 (0.48) ALDH1A1TDP1MAPTADORA2AADORA1
SCHEMBL17486036 0.87 ALDH1A1 (0.72) ALDH1A1TDP1MAPTADORA2AADORA1
SCHEMBL77495 0.86 ALDH1A1 (0.70) ALDH1A1TDP1MAPTL3MBTL1POLB
SCHEMBL23350705 0.84 MAPT (0.55) ALDH1A1TDP1MAPTADORA2AADORA1
SCHEMBL14208887 0.84 ALDH1A1 (0.45) ALDH1A1TDP1MAPTADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141152-B1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MAT CO LTD (JP) 2021-05-05 EP disclosed
EP-2138486-B1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2017-11-22 EP disclosed
US-8227798-B2 Compound for organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-8227798-B2 Compound for organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-8216699-B2 Organic phosphorescent material and organic optoelectronic device ISIS INNOVATION LIMITED (GB) 2012-07-10 US disclosed
US-20100127616-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100127616-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100096983-A1 ORGANIC PHOSPHORESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE ISIS INNOVATION LIMITED (GB) 2010-04-22 US disclosed
US-20100044695-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL CO., LTD. (JP) 2010-02-25 US disclosed
US-20100044695-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL CO., LTD. (JP) 2010-02-25 US disclosed
US-7659010-B2 Organic phosphorescent material and organic optoelectronic device ISIS INNOVATION LIMITED (GB) 2010-02-09 US disclosed
US-20070009759-A1 Organic phosphorescent material and organic optoelectronic device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2007-01-11 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-20100044695-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE RER1, EMC1, AOC3 ALDH1A1 390/4885TDP1 2087/4885MAPT 2764/4885
US-20100127616-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE EML4, EPB41, MLLT1 ALDH1A1 298/4885TDP1 2312/4885MAPT 1792/4885

“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.