SCHEMBL681271

SCHEMBL681271

C=C(C(C)C)C(C)(CCN)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPSR1 Q6W5P4 2/20 0.38
KIF11 P52732 1/20 0.37
CYP1A2 P05177 3/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOB P27338 2/20 0.35
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.34

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
SCHEMBL16261020 0.84 OGG1 (0.33) MEN1KMT2ACYP3A4MAPTPOLB
SCHEMBL681053 0.81 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17803818 0.81 MEN1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL684428 0.76 CYP1A2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL680867 0.74 CYP1A2 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL684201 0.73 CYP1A2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29571023 0.71 KMT2A (0.54) MEN1KMT2ANPSR1KIF11CYP1A2
SCHEMBL29570669 0.70 KIF11 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3650440 0.69 KIF11 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6348384 0.68 MEN1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 GRIN2D 4589/4885GRIN3B 4661/4885GRIN1 4163/4885

“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.