SCHEMBL6526254

SCHEMBL6526254

CN(C(=O)O)c1c(Cl)ccc2c1C1(CCN(Cc3ccccc3)CC1)CN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.41
DRD4 P21917 4/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
CHRM2 P08172 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
OPRM1 P35372 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
CHRM3 P20309 2/20 0.38
PRNP P04156 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
APAF1 O14727 1/20 0.38
UBE2N P61088 1/20 0.38
OPRL1 P41146 1/20 0.38

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 0.84 CYP2D6 (0.44) CYP2D6DRD2CHRM2KMT2AMEN1
SCHEMBL6526248 0.79 CYP2D6 (0.41) CYP2D6CHRM2L3MBTL1ALDH1A1CHRM3
SCHEMBL3664887 0.78 MEN1 (0.45) CYP2D6DRD4DRD2DRD3CHRM2
SCHEMBL3663768 0.76 SIGMAR1 (0.43) CYP2D6DRD4DRD2DRD3KMT2A
SCHEMBL6520201 0.72 CYP2D6 (0.42) CYP2D6DRD2KMT2AMEN1SIGMAR1
SCHEMBL3668098 0.72 POLB (0.46) CYP2D6DRD2KMT2AMEN1SIGMAR1
SCHEMBL3665994 0.72 DRD4 (0.41) CYP2D6DRD4CHRM2SIGMAR1OPRM1
Hydrochloric Acid SCHEMBL6521624 0.71 POLB (0.43) CYP2D6DRD2KMT2AMEN1SIGMAR1
SCHEMBL29444528 0.71 TSHR (0.45) CYP2D6DRD4DRD2DRD3KMT2A
SCHEMBL3668622 0.70 OPRL1 (0.53) CYP2D6DRD2KMT2AMEN1SIGMAR1

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 1028/4885DRD4 4583/4885DRD2 4712/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 CYP2D6 998/4885DRD4 4496/4885DRD2 4652/4885

“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.