SCHEMBL2987312

SCHEMBL2987312

CC(C)(C)OC(=O)N1CCN(CCOc2ccc3sc(-c4nc(NCCN5C(=O)NC(=O)C5(C)C)ncc4Br)cc3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.39
EPHX2 P34913 7/20 0.37
GPR119 Q8TDV5 2/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
GPR4 P46093 1/20 0.36
DRD2 P14416 4/20 0.36
DRD3 P35462 4/20 0.36
DYRK2 Q92630 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
SCHEMBL5238050 0.97 ACKR3 (0.37) ACKR3EPHX2GPR119PDE3BPDE3A
SCHEMBL2980444 0.92 DRD3 (0.37) PDE3BPDE3ADRD2DRD3
SCHEMBL2983864 0.90 PDE3B (0.36) PDE3BPDE3ADRD2DRD3
SCHEMBL2973307 0.89 PDE3B (0.41) PDE3BPDE3ADRD2DRD3
SCHEMBL2980471 0.89 PDE3B (0.40) PDE3BPDE3ADRD2DRD3
SCHEMBL2980391 0.89 PDE3B (0.42) PDE3BPDE3A
SCHEMBL2975965 0.88 CACNA2D1 (0.38) PDE3BPDE3A
SCHEMBL2983812 0.88 PDE3B (0.36) PDE3BPDE3ADRD2DRD3
SCHEMBL2983292 0.85 GPR119 (0.38) GPR119
SCHEMBL2975929 0.85 PDE3B (0.34) PDE3BPDE3A

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
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 ACKR3 3404/4885EPHX2 2549/4885GPR119 4211/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 ACKR3 3404/4885EPHX2 2549/4885GPR119 4211/4885

“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.