SCHEMBL681633

SCHEMBL681633

C=C(C(C)C)C(CC1(N)CC1)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ADRB2 P07550 1/20 0.37
BRD4 O60885 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP2C9 P11712 4/20 0.34
CYP2C19 P33261 3/20 0.34
MEN1 O00255 2/20 0.34
CYP2D6 P10635 2/20 0.34
KMT2A Q03164 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
HSD11B1 P28845 2/20 0.34
AOC3 Q16853 1/20 0.33
GABBR2 O75899 3/20 0.33
GABBR1 Q9UBS5 3/20 0.33
LMNA P02545 2/20 0.33
FFAR2 O15552 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL681489 0.85 POLB (0.40) POLBADRB2BRD4L3MBTL1CYP2C9
SCHEMBL14330271 0.85 POLB (0.40) POLBADRB2BRD4L3MBTL1CYP2C9
SCHEMBL684750 0.83 BRD4 (0.50) POLBADRB2BRD4L3MBTL1CYP2C9
SCHEMBL17655238 0.83 BRD4 (0.50) POLBADRB2BRD4L3MBTL1CYP2C9
SCHEMBL681214 0.81 SLC6A3 (0.34) SLC6A4SLC6A2SLC6A3
SCHEMBL681635 0.81 SLC6A2 (0.39) POLBADRB2BRD4L3MBTL1SLC6A4
SCHEMBL12194482 0.78 GABBR2 (0.45) POLBADRB2L3MBTL1CYP2C9CYP2C19
SCHEMBL681802 0.73 SLC6A2 (0.40) POLBADRB2BRD4L3MBTL1CYP2C9
SCHEMBL681388 0.73 SLC6A2 (0.40) POLBADRB2BRD4L3MBTL1CYP2C9
SCHEMBL681220 0.73 SLC6A2 (0.40) POLBADRB2BRD4L3MBTL1CYP2C9

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 POLB 751/4885ADRB2 4077/4885BRD4 3681/4885

“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.