SCHEMBL681638

SCHEMBL681638

C=C(C(C)C)C(CC(C)(C)N)c1ccc(Cl)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
FFAR1 O14842 1/20 0.34
GPR139 Q6DWJ6 10/20 0.33
RPS6KB1 P23443 2/20 0.33
AKT1 P31749 2/20 0.33
TRPV1 Q8NER1 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12194543 1.00 APP (0.35) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL681639 0.88 PDPK1 (0.35) APPMEN1LMNAKMT2A
SCHEMBL679758 0.87 APP (0.38) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL681046 0.87 APP (0.38) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL684442 0.84 AKR1C3 (0.38) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL683662 0.84 AKR1C3 (0.38) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL680152 0.83 APP (0.38) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL14304004 0.82 FFAR1 (0.37) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL681220 0.80 SLC6A2 (0.40) MEN1LMNAKMT2A
SCHEMBL681802 0.80 SLC6A2 (0.40) MEN1LMNAKMT2A

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
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 US disclosed
US-8329701-B2 Dihydrofuro pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-11 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 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-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 APP 1822/4885PSEN1 1035/4885PSEN2 1465/4885

“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.