SCHEMBL236744

SCHEMBL236744

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(C(=O)N6CCN(c7ccccn7)CC6)CC5)cc4)nc3n2n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
AKT1 P31749 13/20 0.48
AKT2 P31751 13/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
JAK1 P23458 1/20 0.44
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL236237 0.93 AKT1 (0.49) MEN1KMT2AALDH1A1NPSR1AKT1
SCHEMBL238650 0.90 AKT1 (0.51) MEN1KMT2AALDH1A1AKT1AKT2
SCHEMBL236773 0.89 CHRM2 (0.47) MEN1KMT2AALDH1A1NPSR1AKT1
SCHEMBL238262 0.89 AKT1 (0.52) MEN1KMT2AALDH1A1AKT1AKT2
SCHEMBL236581 0.89 AKT1 (0.51) MEN1KMT2AALDH1A1AKT1AKT2
SCHEMBL235465 0.88 AKT1 (0.51) MEN1KMT2AALDH1A1NPSR1AKT1
SCHEMBL234243 0.88 AKT1 (0.51) MEN1KMT2AALDH1A1AKT1AKT2
SCHEMBL235725 0.88 AKT1 (0.47) MEN1KMT2AALDH1A1NPSR1AKT1
SCHEMBL238128 0.87 AKT1 (0.52) MEN1KMT2AALDH1A1AKT1AKT2
SCHEMBL238129 0.87 AKT1 (0.50) MEN1KMT2AALDH1A1AKT1AKT2

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 9 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 claimed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US claimed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US claimed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
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 MEN1 1044/4885KMT2A 1843/4885ALDH1A1 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.