SCHEMBL235114

SCHEMBL235114

Cc1cc2ncc3cc(-c4cccc(Cl)c4)c(-c4ccc(C5(N)CC(C)(O)C5)cc4)nc3n2n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.41
AKT2 P31751 18/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL235115 1.00 AKT1 (0.41) AKT1AKT2NPC1RAB9ASMN1; SMN2
SCHEMBL2755304 1.00 AKT1 (0.41) AKT1AKT2NPC1RAB9ASMN1; SMN2
SCHEMBL2755319 0.92 AKT1 (0.44) AKT1AKT2
SCHEMBL237670 0.92 AKT1 (0.44) AKT1AKT2
SCHEMBL237671 0.92 AKT1 (0.44) AKT1AKT2
SCHEMBL238173 0.91 MEN1 (0.47) AKT1AKT2NPC1RAB9ASMN1; SMN2
SCHEMBL238174 0.91 MEN1 (0.47) AKT1AKT2NPC1RAB9ASMN1; SMN2
SCHEMBL2755301 0.91 MEN1 (0.47) AKT1AKT2NPC1RAB9ASMN1; SMN2
SCHEMBL237556 0.91 AKT1 (0.42) AKT1AKT2
SCHEMBL237555 0.91 AKT1 (0.42) AKT1AKT2

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 6 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
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

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 4/4885NPC1 1127/4885

“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.