SCHEMBL234907

SCHEMBL234907

CC(C)(C)c1cc2ncc3cc(-c4cccs4)c(=O)[nH]c3n2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.36
BTK Q06187 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 3/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
CHEK1 O14757 1/20 0.34
PARP1 P09874 4/20 0.34
MAOA P21397 3/20 0.34
MAOB P27338 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA1 P30542 1/20 0.34
FYN P06241 1/20 0.33
ADORA2A P29274 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE5A O76074 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
SCHEMBL2755188 0.88 ALDH1A1 (0.42) PLATBTKALDH1A1KDM4EL3MBTL1
SCHEMBL236682 0.84 KDM5B (0.38) PLATBTKALDH1A1KDM4EHPGD
SCHEMBL236540 0.83 AURKA (0.38) ALDH1A1KDM4EL3MBTL1HPGDMAPK1
SCHEMBL234906 0.81 BTK (0.36) BTKALDH1A1KDM4EADORA3FYN
SCHEMBL239244 0.80 PLAT (0.44) PLATALDH1A1KDM4EHPGDMAPK1
SCHEMBL236019 0.80 PLAT (0.35) PLATBTKMAPTADORA3ADORA1
SCHEMBL2755265 0.79 PIM1 (0.42) PLATBTKALDH1A1KDM4EHPGD
SCHEMBL238115 0.69 PKM (0.38) PLATBTKHPGDPARP1KMT2A
SCHEMBL238239 0.69 BTK (0.38) BTKALDH1A1HPGDADORA3FYN
SCHEMBL236940 0.68 KDR (0.41) KDM4EHPGDMAPTCHEK1MAOB

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
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 PLAT 1906/4885BTK 221/4885ALDH1A1 3980/4885

“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.