SCHEMBL2975965

SCHEMBL2975965

CC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2cc3cc(OCCN4CCOCC4)ccc3s2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.38
TBK1 Q9UHD2 2/20 0.38
AURKB Q96GD4 7/20 0.37
CDK1 P06493 1/20 0.36
KDR P35968 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MAPK8 P45983 1/20 0.35
HPGD P15428 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
IGF1R P08069 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL2980471 0.94 PDE3B (0.40) CACNA2D1TBK1PDE3BPDE3ANPC1
SCHEMBL2973307 0.94 PDE3B (0.41) CACNA2D1TBK1AURKBPDE3BPDE3A
SCHEMBL2980391 0.94 PDE3B (0.42) CACNA2D1TBK1AURKBKDRPDE3B
SCHEMBL2983864 0.94 PDE3B (0.36) CACNA2D1TBK1PDE3BPDE3A
SCHEMBL2983812 0.93 PDE3B (0.36) CACNA2D1TBK1PDE3BPDE3ACA1
SCHEMBL2980444 0.90 DRD3 (0.37) PDE3BPDE3A
SCHEMBL5147425 0.89 AURKB (0.38) CACNA2D1TBK1AURKBPDE3BPDE3A
SCHEMBL2975929 0.88 PDE3B (0.34) PDE3BPDE3A
SCHEMBL2987877 0.88 PDE3B (0.31) PDE3BPDE3A
SCHEMBL2987312 0.88 ACKR3 (0.39) 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 7 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
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO 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 CACNA2D1 3382/4885TBK1 686/4885AURKB 51/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 CACNA2D1 3382/4885TBK1 686/4885AURKB 51/4885

“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.