SCHEMBL681639

SCHEMBL681639

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
MME P08473 1/20 0.34
ROCK2 O75116 1/20 0.33
KCNQ2 O43526 1/20 0.33
RIPK1 Q13546 1/20 0.33
DPP4 P27487 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL681638 0.88 APP (0.35) APPMEN1LMNAKMT2A
SCHEMBL12194543 0.88 APP (0.35) APPMEN1LMNAKMT2A
SCHEMBL679759 0.86 CES2 (0.38) PDPK1CES2CES1CHRNA1CHRNG
SCHEMBL681391 0.84 AOC3 (0.38) RIPK1HSD11B1
SCHEMBL684423 0.82 CES2 (0.40) PDPK1CES2CES1CHRNA1CHRNG
SCHEMBL681220 0.81 SLC6A2 (0.40) SLC6A2CHRNA4SLC6A3MEN1LMNA
SCHEMBL681388 0.81 SLC6A2 (0.40) SLC6A2CHRNA4SLC6A3MEN1LMNA
SCHEMBL681802 0.81 SLC6A2 (0.40) SLC6A2CHRNA4SLC6A3MEN1LMNA
SCHEMBL680064 0.75 PDPK1 (0.44) PDPK1CES2CES1MMEKCNQ2
SCHEMBL681046 0.74 APP (0.38) AKR1C3AKR1C2APPMEN1LMNA

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 PDPK1 32/4885CES2 2826/4885CES1 1631/4885

“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.