SCHEMBL11932989

SCHEMBL11932989

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6sc7c(ccc8c7c7ccccc7n8-c7ccc(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)cc7)c6ccc54)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.40
MAPT P10636 9/20 0.40
MEN1 O00255 8/20 0.40
HPGD P15428 8/20 0.40
ALDH1A1 P00352 7/20 0.40
NTSR1 P30989 1/20 0.40
KDM4E B2RXH2 6/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PTK2B Q14289 1/20 0.34
MAPK1 P28482 2/20 0.33

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
SCHEMBL14951199 0.97 KMT2A (0.38) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL14951205 0.97 KMT2A (0.38) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL10014510 0.93 KMT2A (0.37) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL10014512 0.93 KMT2A (0.37) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL11932992 0.93 ATM (0.40) KMT2AMEN1KDM4EL3MBTL1ATM
SCHEMBL21925590 0.93 MAPT (0.35) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL15625616 0.92 KMT2A (0.36) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL18058657 0.92 KMT2A (0.36) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL17827311 0.91 L3MBTL1 (0.42) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL21928011 0.91 MAPT (0.36) KMT2AMAPTMEN1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290513-B2 Compound containing 5-membered heterocycles, organic electronic device using same, and terminal comprising the latter DUK SAN NEOLUX CO., LTD. (KR) 2016-03-22 US disclosed
US-9290513-B2 Compound containing 5-membered heterocycles, organic electronic device using same, and terminal comprising the latter DUK SAN NEOLUX CO., LTD. (KR) 2016-03-22 US disclosed
US-20150307514-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER DUK SAN NEOLUX CO., LTD. (KR) 2015-10-29 US disclosed
US-20150307514-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER DUK SAN NEOLUX CO., LTD. (KR) 2015-10-29 US disclosed
US-9079920-B2 Compound containing 5-membered heterocycles, organic light-emitting device using same, and terminal comprising the latter DUK SAN NEOLUX CO., LTD. (KR) 2015-07-14 US disclosed
US-9079920-B2 Compound containing 5-membered heterocycles, organic light-emitting device using same, and terminal comprising the latter DUK SAN NEOLUX CO., LTD. (KR) 2015-07-14 US disclosed
US-20120168734-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER DUKSAN HIGH METAL CO., LTD. (KR) 2012-07-05 US disclosed
US-20120168734-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER DUKSAN HIGH METAL CO., LTD. (KR) 2012-07-05 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-20120168734-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER ORC3, OR10J3, SUN2 KMT2A 1528/4885MAPT 2781/4885MEN1 653/4885
US-20150307514-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER EMC2, AOC2, MCM5 KMT2A 1167/4885MAPT 4014/4885MEN1 257/4885

“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.