SCHEMBL235227

SCHEMBL235227

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(C(=O)NCc6ccccc6)CC5)cc4)nc3n2n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.54
AKT2 P31751 5/20 0.54
ACKR3 P25106 1/20 0.49
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
OGA O60502 1/20 0.44
CHRM4 P08173 3/20 0.44
WNT1 P04628 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 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
SCHEMBL238886 0.96 AKT1 (0.56) AKT1AKT2ACKR3POLBRXFP1
SCHEMBL238317 0.94 AKT1 (0.51) AKT1AKT2ACKR3POLBRXFP1
SCHEMBL234789 0.93 AKT1 (0.55) AKT1AKT2ACKR3CHRM4WNT1
SCHEMBL235228 0.93 AKT1 (0.58) AKT1AKT2CHRM4WNT1GSK3B
SCHEMBL237085 0.93 AKT1 (0.54) AKT1AKT2CHRM4WNT1GSK3B
SCHEMBL237621 0.92 AKT1 (0.51) AKT1AKT2ACKR3POLBCHRM4
SCHEMBL237299 0.92 AKT1 (0.57) AKT1AKT2ACKR3CHRM4WNT1
SCHEMBL237686 0.92 AKT1 (0.51) AKT1AKT2PKM
SCHEMBL236766 0.92 AKT1 (0.53) AKT1AKT2CHRM4WNT1GSK3B
SCHEMBL235459 0.91 AKT1 (0.58) AKT1AKT2CHRM4WNT1GSK3B

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.