SCHEMBL1608765

SCHEMBL1608765

NC1(c2ccc(-c3nc4ccc5nnc(-c6cnccn6)n5c4cc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.53
AKT2 P31751 14/20 0.53

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
SCHEMBL1607686 0.91 AKT1 (0.55) AKT1AKT2
SCHEMBL1607772 0.90 AKT1 (0.56) AKT1AKT2
SCHEMBL1607788 0.89 AKT1 (0.54) AKT1AKT2
SCHEMBL1607059 0.89 AKT1 (0.54) AKT1AKT2
SCHEMBL1607254 0.89 AKT1 (0.54) AKT1AKT2
SCHEMBL1608693 0.88 AKT1 (0.60) AKT1AKT2
SCHEMBL1607165 0.87 AKT1 (0.56) AKT1AKT2
SCHEMBL1607962 0.87 AKT1 (0.56) AKT1AKT2
SCHEMBL1607785 0.86 AKT1 (0.56) AKT1AKT2
SCHEMBL2027037 0.86 AKT1 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299825-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-07-31 EP claimed
US-8536193-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2013-09-17 US disclosed
EP-2299825-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
US-20110082135-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2011-04-07 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-20110082135-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, AKT1S1, AKT1 AKT1 3/4885AKT2 5/4885

“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.