SCHEMBL1674704

SCHEMBL1674704

CC1(O)CC(N)(c2ccc(-c3nc4ccc5nnc(-c6cccc(O)c6)n5c4nc3-c3ccccc3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.55
AKT2 P31751 17/20 0.55
PDE2A O00408 1/20 0.43
PDE10A Q9Y233 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
SCHEMBL15900011 1.00 AKT1 (0.55) AKT1AKT2PDE2APDE10A
SCHEMBL1674532 0.89 AKT1 (0.57) AKT1AKT2PDE2APDE10A
SCHEMBL15899947 0.89 AKT1 (0.57) AKT1AKT2PDE2APDE10A
SCHEMBL1607501 0.87 AKT1 (0.71) AKT1AKT2
SCHEMBL15900008 0.87 AKT1 (0.53) AKT1AKT2
SCHEMBL1607503 0.87 AKT1 (0.71) AKT1AKT2
SCHEMBL1674481 0.87 AKT1 (0.53) AKT1AKT2
SCHEMBL1674482 0.87 AKT1 (0.53) AKT1AKT2
SCHEMBL15899995 0.87 AKT1 (0.56) AKT1AKT2
SCHEMBL1674429 0.87 AKT1 (0.56) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303269-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2014-07-30 EP claimed
US-8207169-B2 Substituted [1,2,4]triazolo[4′,3′:1,6]pyrido[2,3-b]pyrazines of the formula D MSD K.K. (JP) 2012-06-26 US claimed
US-20110092511-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2011-04-21 US claimed
EP-2303269-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2014-07-30 EP disclosed
US-8207169-B2 Substituted [1,2,4]triazolo[4′,3′:1,6]pyrido[2,3-b]pyrazines of the formula D MSD K.K. (JP) 2012-06-26 US disclosed
US-20110092511-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2011-04-21 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-20110092511-A1 INHIBITORS OF AKT ACTIVITY AKT1S1, AKT1, PIK3CA AKT1 2/4885AKT2 5/4885PDE2A 1765/4885

“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.