SCHEMBL237730

SCHEMBL237730

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(C(=O)Nc6cccc(CO)c6)CC5)cc4)nc3n2n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.55
AKT2 P31751 5/20 0.55
ACKR3 P25106 6/20 0.45
WNT1 P04628 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
KMT2A Q03164 2/20 0.43

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
SCHEMBL237127 0.94 AKT1 (0.61) AKT1AKT2WNT1GSK3BDYRK1A
SCHEMBL237693 0.93 AKT1 (0.55) AKT1AKT2ACKR3WNT1GSK3B
SCHEMBL235655 0.93 AKT1 (0.55) AKT1AKT2ACKR3WNT1GSK3B
SCHEMBL234784 0.93 AKT1 (0.55) AKT1AKT2KMT2A
SCHEMBL235731 0.92 AKT1 (0.54) AKT1AKT2KMT2A
SCHEMBL234286 0.91 AKT1 (0.53) AKT1AKT2WNT1GSK3BDYRK1A
SCHEMBL236182 0.91 AKT1 (0.53) AKT1AKT2KMT2A
SCHEMBL235907 0.91 AKT1 (0.59) AKT1AKT2WNT1GSK3BDYRK1A
SCHEMBL237401 0.91 AKT1 (0.53) AKT1AKT2ACKR3WNT1GSK3B
SCHEMBL237411 0.91 AKT1 (0.53) AKT1AKT2KMT2A

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 4/4885ACKR3 3663/4885

“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.