SCHEMBL17486188

SCHEMBL17486188

COc1cc(-c2nc(N3CCCc4ccccc43)nc(N3CCCc4ccccc43)n2)cnc1-c1ccc2c(c1)C(C)(C)OC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
AKT1 P31749 1/20 0.38
PIK3CA P42336 1/20 0.38
KIT P10721 1/20 0.38
TSHR P16473 6/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPK1 P28482 3/20 0.37
JAK2 O60674 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 5/20 0.36
USP2 O75604 2/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL20805788 0.88 AKT1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17486327 0.87 TSHR (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17486133 0.73 TDO2 (0.31) TSHRKDM4EPOLBHPGDHSD17B10
SCHEMBL17486149 0.73 AKT1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19295181 0.70 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17486288 0.68 DYRK1B (0.34) AKT1ALDH1A1KDM4EMAPK1MEN1
SCHEMBL20805779 0.67 JAK2 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17486079 0.66 ALDH1A1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17486132 0.66 ALDH1A1 (0.40) PIK3CATSHRALDH1A1KDM4EMAPK1
SCHEMBL28567263 0.65 MAPT (0.56) PSEN1PSEN2APH1BNCSTNAPH1A

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-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 PSEN1 1578/4885PSEN2 1065/4885APH1B 2316/4885

“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.