SCHEMBL14815430

SCHEMBL14815430

c1ccc2c(c1)nc1c3cccnc3ccn21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK8 P45983 6/20 0.45
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
HTR3A P46098 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL14815437 0.83 PDE10A (0.40) KDM4EHPGDHSD17B10LMNAMAPT
SCHEMBL1369733 0.80 KDM4E (0.46) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL9984386 0.80 KDM4E (0.65) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL12145154 0.79 ADORA2A (0.44) KDM4EALDH1A1LMNATP53NFKB1
SCHEMBL14815299 0.78 EGFR (0.43) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL16586809 0.78 KDM4E (0.63) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL3991432 0.78 KDM4E (0.44) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL14760387 0.76 KDM4E (0.45) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL25299727 0.73 ADORA2A (0.53) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL17075238 0.73 RAD51 (0.44) KDM4EHPGDHSD17B10ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872590-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-11-14 EP disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 WO disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 KDM4E 3816/4885HPGD 3882/4885HSD17B10 2888/4885
US-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 KDM4E 4129/4885HPGD 3092/4885HSD17B10 3651/4885

“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.