SCHEMBL6524044

SCHEMBL6524044

NC(OC(=O)C(F)(F)F)c1cccc2c1C1(CCN(Cc3ccccc3)C1)CN2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.40
PRNP P04156 1/20 0.40
CYP2D6 P10635 8/20 0.38
CYP3A4 P08684 8/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 5/20 0.36

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
Trifluoroacetic Acid SCHEMBL3721770 0.79 PRNP (0.46) PRNPCYP2D6CYP3A4CYP1A2CYP2C19
SCHEMBL29444528 0.73 TSHR (0.45) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL3722865 0.72 OPRL1 (0.48) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6526248 0.72 CYP2D6 (0.41) PRNPCYP2D6CYP3A4CYP2C19ALDH1A1
SCHEMBL6526247 0.71 HDAC1 (0.40) PRNPCYP2D6CYP3A4ALDH1A1TSHR
SCHEMBL6520201 0.71 CYP2D6 (0.42) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6521624 0.70 POLB (0.43) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL3723903 0.70 CYP2D6 (0.37) PRNPCYP2D6CYP3A4ALDH1A1TSHR
SCHEMBL3667492 0.67 CYP2D6 (0.44) PRNPCYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL3668622 0.66 OPRL1 (0.53) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19

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 MGLL 4558/4885PRNP 1766/4885CYP2D6 1028/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 MGLL 4609/4885PRNP 1610/4885CYP2D6 998/4885

“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.