SCHEMBL1709910

SCHEMBL1709910

CC(=O)NCC1CCN(c2nc(Nc3ccc4c(C)nn(C(=O)OC(C)(C)C)c4c3)nc3ccoc23)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.36
ACACA Q13085 5/20 0.36
JAK2 O60674 3/20 0.36
JAK3 P52333 2/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
PTK2 Q05397 2/20 0.35
SYK P43405 2/20 0.35
ABL1 P00519 2/20 0.35
DAPK3 O43293 1/20 0.35
STK16 O75716 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
RET P07949 1/20 0.35
LTK P29376 1/20 0.35
TTK P33981 1/20 0.35
GRK5 P34947 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL3699630 0.83 SYK (0.35) ACACBACACAJAK2JAK3JAK1
SCHEMBL1709801 0.83 SYK (0.35) JAK2JAK3JAK1TYK2PTK2
SCHEMBL3710067 0.82 SIRT2 (0.40) ACACBACACAJAK2PTK2SYK
SCHEMBL1709921 0.81 SYK (0.55) JAK2PTK2SYKABL1DAPK3
SCHEMBL3699633 0.81 SYK (0.34) ACACBACACAJAK2JAK3JAK1
SCHEMBL15304351 0.80 ACACB (0.39) ACACBACACAJAK2PTK2SYK
SCHEMBL1709904 0.79 SYK (0.51) JAK2PTK2SYKABL1DAPK3
SCHEMBL3709139 0.79 CKS1B (0.37) JAK2JAK3PTK2SYKABL1
SCHEMBL3700815 0.77 SYK (0.37) JAK2PTK2SYKABL1DAPK3
SCHEMBL3706513 0.77 OPRM1 (0.39) JAK2JAK3PTK2SYKABL1

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
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
WO-2012048222-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-12 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 (1 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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 ACACB 3813/4885ACACA 4096/4885JAK2 218/4885

“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.