SCHEMBL2973307

SCHEMBL2973307

CC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2cc3cc(OCCN4CCCC4)ccc3s2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
LTA4H P09960 1/20 0.35
CACNA2D1 P54289 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
TBK1 Q9UHD2 6/20 0.35
IKBKE Q14164 3/20 0.35
MAOB P27338 1/20 0.34
FGFR1 P11362 1/20 0.33
AXL P30530 1/20 0.33
BRD4 O60885 1/20 0.33
RET P07949 1/20 0.33
FLT3 P36888 1/20 0.33
HDAC1 Q13547 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
SCHEMBL2980391 0.99 PDE3B (0.42) PDE3BPDE3AJAK2JAK1TYK2
SCHEMBL2980471 0.98 PDE3B (0.40) PDE3BPDE3AJAK2JAK1TYK2
SCHEMBL2983864 0.95 PDE3B (0.36) PDE3BPDE3AJAK2JAK1TYK2
SCHEMBL2975965 0.94 CACNA2D1 (0.38) PDE3BPDE3ACACNA2D1NPC1TBK1
SCHEMBL2983812 0.94 PDE3B (0.36) PDE3BPDE3AJAK2JAK1TYK2
SCHEMBL2980444 0.92 DRD3 (0.37) PDE3BPDE3ADRD2DRD3
SCHEMBL2983491 0.90 PDE3B (0.39) PDE3BPDE3AJAK2JAK1TYK2
SCHEMBL2975929 0.90 PDE3B (0.34) PDE3BPDE3ALTA4H
SCHEMBL2987877 0.89 PDE3B (0.31) PDE3BPDE3A
SCHEMBL2987312 0.89 ACKR3 (0.39) PDE3BPDE3ADRD2DRD3

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 10 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 claimed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US claimed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US claimed
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 PDE3B 3421/4885PDE3A 3635/4885JAK2 862/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 PDE3B 3421/4885PDE3A 3635/4885JAK2 862/4885

“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.