SCHEMBL15428148

SCHEMBL15428148

CC1(C)c2cc3nc4c5ccccc5c5ccccc5n4c3cc2C(C)(C)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 8/20 0.40
MAPT P10636 7/20 0.40
HPGD P15428 6/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
HSD17B10 Q99714 5/20 0.39
LMNA P02545 5/20 0.39
POLB P06746 4/20 0.39
TP53 P04637 3/20 0.39
TSHR P16473 5/20 0.35
CASP1 P29466 4/20 0.33
CASP7 P55210 4/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
NPC1 O15118 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
USP2 O75604 3/20 0.33
MAPK1 P28482 2/20 0.33
ATM Q13315 1/20 0.33
HCRTR1 O43613 1/20 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
SCHEMBL19669302 0.86 PGR (0.38) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL15428293 0.83 KDM4E (0.32) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL15427877 0.81 KDM4E (0.38) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL17084986 0.81 KDM4E (0.38) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL17084984 0.79 PGR (0.35)
SCHEMBL15427818 0.79 KDM4E (0.32) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL15428175 0.79 KDM4E (0.35) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL25635056 0.79 KDM4E (0.46) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL15427828 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL15427878 0.78 KDM4E (0.33) ALDH1A1KDM4EMAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220209141-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2022-06-30 US disclosed
WO-2020212296-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-10-22 WO disclosed
EP-3328872-B1 ELECTROLUMINESCENT BRIDGED METAL COMPLEXES FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-05-29 EP disclosed
US-20180226591-A1 ELECTROLUMINESCENT BRIDGED METAL COMPLEXES FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-20180226591-A1 ELECTROLUMINESCENT BRIDGED METAL COMPLEXES FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-08-09 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
WO-2017016634-A1 ELECTROLUMINESCENT BRIDGED METAL COMPLEXES FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-02-02 WO 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

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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 ALDH1A1 3721/4885KDM4E 3816/4885MAPT 1084/4885
US-20220209141-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ALDH1A1 3790/4885KDM4E 3628/4885MAPT 1180/4885
US-20180226591-A1 ELECTROLUMINESCENT BRIDGED METAL COMPLEXES FOR USE IN ELECTRONIC DEVICES EED, SOD1, NBAS ALDH1A1 1674/4885KDM4E 2978/4885MAPT 682/4885

“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.