SCHEMBL5313641

SCHEMBL5313641

Cc1nc2nc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(C)nc6ccccc65)CC4)cc3)nc2cc1Br

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.61
AKT2 P31751 10/20 0.61
AKT3 Q9Y243 5/20 0.52
CYP2D6 P10635 1/20 0.47
CCR5 P51681 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.46
KDR P35968 1/20 0.46
UBE2N P61088 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL5351719 0.87 AKT1 (0.63) AKT1AKT2AKT3CYP2D6CCR5
SCHEMBL5313797 0.80 AKT1 (0.60) AKT1AKT2AKT3CYP2D6CCR5
SCHEMBL5312143 0.79 AKT1 (0.71) AKT1AKT2AKT3
SCHEMBL5259020 0.79 AKT1 (0.71) AKT1AKT2AKT3
SCHEMBL7586080 0.79 CCR5 (0.67) AKT1AKT2CYP2D6CCR5LMNA
SCHEMBL5310128 0.79 AKT1 (0.72) AKT1AKT2AKT3LMNATSHR
SCHEMBL5314880 0.78 AKT1 (0.58) AKT1AKT2AKT3CYP2D6CCR5
SCHEMBL4386805 0.77 AKT1 (0.70) AKT1AKT2AKT3
SCHEMBL4371234 0.77 AKT1 (0.68) AKT1AKT2AKT3LMNATSHR
SCHEMBL4373663 0.77 AKT1 (0.75) AKT1AKT2AKT3CYP2D6CCR5

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496896-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 EP claimed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US claimed
US-20050222155-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-10-06 US claimed
EP-1496896-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 WO claimed
EP-1496896-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 EP disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-20050222155-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-10-06 US disclosed
EP-1496896-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 WO 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-20050222155-A1 Inhibitors of akt activity AKT1, AKT2, AKT3 AKT1 1/4885AKT2 2/4885AKT3 3/4885

“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.