SCHEMBL13853075

SCHEMBL13853075

N#Cc1nc2n(c1C#N)c1nc(C#N)c(C#N)n1c1nc(C#N)c(C#N)n21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL19365261 0.87 KDM4E (0.36) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL11306446 0.64
SCHEMBL13853079 0.64
SCHEMBL12849485 0.64 KDM4E (0.32) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL7219380 0.62 KDM4E (0.31) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL4201109 0.62
SCHEMBL13853076 0.62 KDM4E (0.31) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL11659982 0.61 KDM4E (0.30) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL11659977 0.61 KDM4E (0.30) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL303976 0.57 USP8 (0.34) KDM4EGAA

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
US-20170358767-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Konica Minolta, Inc. (JP) 2017-12-14 US disclosed
US-20170338446-A1 Organic Electroluminescence Element MERCK PATENT GMBH (DE) 2017-11-23 US disclosed
US-20170125715-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2017-05-04 US disclosed
US-8449989-B2 Organic compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2013-05-28 US disclosed
US-20090121622-A1 NEW ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD (KR) 2009-05-14 US disclosed
US-7455917-B2 Organic compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2008-11-25 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 (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-20090121622-A1 NEW ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LEF1, CYBA, AOX1 KDM4E 2257/4885ALDH1A1 391/4885GAA 1367/4885

“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.