SCHEMBL3710067

SCHEMBL3710067

Cc1nn(C(=O)O)c2cc(Nc3nc(N4CCC(CCNC(=O)OC(C)(C)C)CC4)c4occc4n3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
ACACB O00763 8/20 0.40
ACACA Q13085 7/20 0.40
IGF1R P08069 1/20 0.35
SUV39H2 Q9H5I1 2/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
STK16 O75716 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 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 0.88 SYK (0.35) ACACBACACADAPK3JAK2STK16
SCHEMBL3699633 0.87 SYK (0.34) ACACBACACADAPK3JAK2STK16
SCHEMBL3706513 0.86 OPRM1 (0.39) DAPK3JAK2STK16MAP4K4PAK4
SCHEMBL3702594 0.86 RAF1 (0.33) ACACBACACAJAK2ABL1LCK
SCHEMBL3700815 0.84 SYK (0.37) IGF1RDAPK3JAK2STK16MAP4K4
SCHEMBL15304351 0.83 ACACB (0.39) ACACBACACASUV39H2DAPK3JAK2
SCHEMBL3705090 0.83 SYK (0.38) DAPK3JAK2STK16MAP4K4PAK4
SCHEMBL3708347 0.83 SYK (0.37) DAPK3JAK2STK16MAP4K4PAK4
SCHEMBL1709910 0.82 ACACB (0.36) ACACBACACADAPK3JAK2STK16
SCHEMBL3709089 0.82 ACACB (0.43) ACACBACACASUV39H2CKS1BSKP1

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 2 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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 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 (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 SIRT2 2938/4885SIRT1 2373/4885SIRT3 2802/4885

“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.