SCHEMBL17486174

SCHEMBL17486174

CC1(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cn3)cc3c2C(C)(C1(C)C)C(C)(C)C3(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXRA P19793 1/20 0.30
RAC2 P15153 1/20 0.30
RAC3 P60763 1/20 0.30
CDC42 P60953 1/20 0.30
RAC1 P63000 1/20 0.30

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
SCHEMBL19295156 0.94 PTGER4 (0.34) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL19295138 0.88 KDM4E (0.35) KDM4EATML3MBTL1RXRARAC2
SCHEMBL17486075 0.84 PTGER4 (0.36) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL17485989 0.82 PTGER4 (0.35) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL17486070 0.81 HSD17B1 (0.33) KDM4E
SCHEMBL19508098 0.79 KDM4E (0.43) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL17485977 0.78 HSD17B1 (0.34) KDM4E
SCHEMBL21975093 0.77 L3MBTL1 (0.41) KDM4EATML3MBTL1RXRARAC2
SCHEMBL24686231 0.76 TUBB4A (0.42) KDM4EATML3MBTL1
SCHEMBL19508096 0.76 KDM4E (0.40) KDM4EATML3MBTL1

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
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 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 (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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 KDM4E 3816/4885ATM 3760/4885L3MBTL1 3160/4885

“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.