SCHEMBL14760387

SCHEMBL14760387

c1ccc2c(c1)nc1c3cccnc3ncn21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
HSD17B10 Q99714 5/20 0.45
HPGD P15428 4/20 0.45
MAPT P10636 4/20 0.42
TSHR P16473 3/20 0.42
CREBBP Q92793 2/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.40
TOP2A P11388 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL9984386 0.82 KDM4E (0.65) KDM4EHSD17B10HPGDMAPTTSHR
SCHEMBL16586809 0.80 KDM4E (0.63) KDM4EHSD17B10HPGDMAPTTSHR
SCHEMBL14815244 0.79 HPGD (0.40) KDM4EHSD17B10HPGDTSHRCREBBP
SCHEMBL14815430 0.76 KDM4E (0.46) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL1687647 0.76 HSD17B10 (0.49) KDM4EHSD17B10HPGDMAPTTSHR
SCHEMBL17075223 0.74 KDM4E (0.48) KDM4EHSD17B10HPGDMAPTTSHR
SCHEMBL14815485 0.74 HSD17B10 (0.48) KDM4EHSD17B10HPGDMAPTTSHR
SCHEMBL1687637 0.73 KDM4E (0.43) KDM4EHSD17B10HPGDMAPTTSHR
SCHEMBL10049228 0.73 KDM4E (0.43) KDM4EHSD17B10HPGDMAPTTSHR
SCHEMBL2455124 0.71 KDM4E (0.44) KDM4EHSD17B10HPGDMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
EP-1960402-B1 NOVEL IMIDAZOQUINAZOLINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2013-03-13 EP 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 3816/4885HSD17B10 2888/4885HPGD 3882/4885
US-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 KDM4E 4129/4885HSD17B10 3651/4885HPGD 3092/4885

“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.