SCHEMBL237453

SCHEMBL237453

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(C(N)=O)CC5)cc4)nc3n2n1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.64
AKT2 P31751 13/20 0.64
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
CHRM4 P08173 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL236743 0.94 AKT1 (0.55) AKT1AKT2CHRM4
SCHEMBL237981 0.92 AKT1 (0.54) AKT1AKT2CHRM4
SCHEMBL237858 0.91 AKT1 (0.54) AKT1AKT2JAK2JAK1CHRM4
SCHEMBL234789 0.91 AKT1 (0.55) AKT1AKT2CHRM4
SCHEMBL236766 0.91 AKT1 (0.53) AKT1AKT2CHRM4
SCHEMBL236292 0.91 AKT1 (0.53) AKT1AKT2CHRM4
SCHEMBL235459 0.90 AKT1 (0.58) AKT1AKT2JAK2JAK1CHRM4
SCHEMBL235229 0.90 AKT1 (0.53) AKT1AKT2CHRM4
SCHEMBL235319 0.90 AKT1 (0.52) AKT1AKT2
SCHEMBL238262 0.90 AKT1 (0.52) AKT1AKT2CHRM4

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 AKT1 13/4885AKT2 4/4885JAK2 572/4885

“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.