SCHEMBL6526248

SCHEMBL6526248

CN(C(=O)O)c1cccc2c1C1(CCN(Cc3ccccc3)C1)CN2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.41
CYP3A4 P08684 5/20 0.41
TSHR P16473 4/20 0.41
CHRM2 P08172 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PRNP P04156 1/20 0.38
CHRM3 P20309 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL3667492 0.95 CYP2D6 (0.44) CYP2D6CYP3A4TSHRCHRM2L3MBTL1
SCHEMBL3723903 0.80 CYP2D6 (0.37) CYP2D6CYP3A4TSHRCHRM2L3MBTL1
SCHEMBL29444528 0.79 TSHR (0.45) CYP2D6CYP3A4TSHRL3MBTL1ALDH1A1
SCHEMBL6526254 0.79 CYP2D6 (0.41) CYP2D6CYP3A4TSHRCHRM2L3MBTL1
SCHEMBL6526247 0.78 HDAC1 (0.40) CYP2D6CYP3A4TSHRCHRM2L3MBTL1
SCHEMBL3722865 0.77 OPRL1 (0.48) CYP2D6CYP3A4TSHRL3MBTL1ALDH1A1
Trifluoroacetic Acid SCHEMBL3721770 0.76 PRNP (0.46) CYP2D6CYP3A4TSHRCHRM2PRNP
SCHEMBL6524044 0.72 MGLL (0.40) CYP2D6CYP3A4TSHRALDH1A1PRNP
SCHEMBL6520201 0.71 CYP2D6 (0.42) CYP2D6CYP3A4TSHRL3MBTL1ALDH1A1
SCHEMBL3668098 0.71 POLB (0.46) CYP2D6CYP3A4TSHRL3MBTL1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346805-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-05-24 US disclosed
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US disclosed
EP-2240483-B1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-02-27 EP disclosed
US-8324221-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-03 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 (2 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-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA CYP2D6 1028/4885CYP3A4 1339/4885TSHR 3855/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 CYP2D6 998/4885CYP3A4 1235/4885TSHR 3750/4885

“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.