SCHEMBL17033924

SCHEMBL17033924

Brc1ccc2c(c1)nc1c3ccccc3c3ccccc3n21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 3/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PTGER4 P35408 1/20 0.42
ALDH1A1 P00352 8/20 0.42
HPGD P15428 6/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
ALOX15 P16050 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
TSPO P30536 1/20 0.35
AURKA O14965 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL17993477 0.94 KDM4E (0.45) KDM4EMAPTLMNATP53POLB
SCHEMBL16066802 0.89 KDM4E (0.49) KDM4EMAPTLMNATP53POLB
SCHEMBL19960359 0.88 PDE2A (0.43) KDM4EMAPTLMNATP53POLB
SCHEMBL16066385 0.86 KDM4E (0.49) KDM4EMAPTLMNATP53POLB
SCHEMBL16066820 0.86 KDM4E (0.49) KDM4EMAPTLMNATP53POLB
SCHEMBL16066291 0.86 KDM4E (0.49) KDM4EMAPTLMNATP53POLB
SCHEMBL10041604 0.84 KDM4E (0.47) KDM4EMAPTLMNATP53POLB
SCHEMBL10346630 0.81 KDM4E (0.61) KDM4EMAPTLMNATP53POLB
SCHEMBL37035230 0.81 KDM4E (0.61) KDM4EMAPTLMNATP53POLB
SCHEMBL10041674 0.81 AHR (0.47) KDM4EMAPTLMNATP53POLB

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-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3266779-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-06-03 EP disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-15 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 WO disclosed
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO 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 (3 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC KDM4E 3894/4885MAPT 2450/4885LMNA 4536/4885
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 KDM4E 1997/4885MAPT 1310/4885LMNA 3023/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 KDM4E 3864/4885MAPT 639/4885LMNA 4570/4885

“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.