SCHEMBL235955

SCHEMBL235955

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
AKT1 P31749 14/20 0.41
AKT2 P31751 14/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.37
KDR P35968 1/20 0.35

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
SCHEMBL235451 0.86 NPC1 (0.46) AURKAAKT1AKT2MEN1NPC1
SCHEMBL238251 0.84 AKT1 (0.47) AURKAAKT1AKT2MEN1NPC1
SCHEMBL16986811 0.83 AKT1 (0.40) AURKAAKT1AKT2MEN1NPC1
SCHEMBL234236 0.83 NPC1 (0.41) AURKAAKT1AKT2MEN1NPC1
SCHEMBL239466 0.82 NPC1 (0.41) AURKAAKT1AKT2MEN1NPC1
SCHEMBL18797689 0.82 NPC1 (0.41) AURKAAKT1AKT2MEN1NPC1
SCHEMBL236154 0.82 ALDH1A1 (0.44) AURKAAKT1AKT2HPGDKMT2A
SCHEMBL237338 0.81 KDR (0.48) AURKAAKT1AKT2MEN1NPC1
SCHEMBL235739 0.81 AKT1 (0.66) AKT1AKT2
SCHEMBL238695 0.81 AKT1 (0.37) AURKAAKT1AKT2MEN1NPC1

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 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 AURKA 470/4885AKT1 13/4885AKT2 4/4885

“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.