SCHEMBL15428249

SCHEMBL15428249

Cc1cc2nc3c4ccccc4c4c(n3c2cc1C)C(C)(C)CC4(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HCRTR1 O43613 2/20 0.32
NPC1 O15118 1/20 0.32
NQO2 P16083 1/20 0.32
SOS1 Q07889 1/20 0.31

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
SCHEMBL15427943 0.85 CCR1 (0.35) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL15427818 0.84 KDM4E (0.32) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL19670940 0.83 KDM4E (0.31) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL17084921 0.82 CHRNB2 (0.32)
SCHEMBL15840891 0.71 PGR (0.39) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL15427720 0.71
SCHEMBL15840995 0.69 KDM4E (0.31) KDM4EALDH1A1HPGD
SCHEMBL17084907 0.69 KDM4E (0.38) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL15427721 0.68 PDE2A (0.34) MEN1KMT2AAHR
SCHEMBL15840884 0.68 PGR (0.41) KDM4EMAPTHSD17B10ALDH1A1HPGD

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-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 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

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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 KDM4E 3816/4885MAPT 1084/4885LMNA 4436/4885

“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.