SCHEMBL3389544

SCHEMBL3389544

CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
SRC P12931 4/20 0.38
BRD4 O60885 3/20 0.38
NR1H2 P55055 3/20 0.37
HSD11B1 P28845 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
TP53 P04637 1/20 0.35
NAMPT P43490 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H3 Q13133 2/20 0.35
IDO1 P14902 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
SCHEMBL263737 1.00 JAK2 (0.38) JAK2JAK1SRCBRD4NR1H2
SCHEMBL8572979 0.87 CYP1A2 (0.43) SRCBRD4NR1H2HSD11B1TP53
SCHEMBL3947235 0.87 CYP1A2 (0.43) SRCBRD4NR1H2HSD11B1TP53
SCHEMBL19674208 0.87 HSD17B10 (0.40) SRCBRD4NR1H2HSD11B1TP53
SCHEMBL3948769 0.86 SRC (0.40) SRCBRD4HSD11B1IDO1
SCHEMBL19540703 0.86 HSD11B1 (0.38) SRCBRD4NR1H2HSD11B1TP53
SCHEMBL20783314 0.86 SRC (0.40) SRCBRD4HSD11B1IDO1
SCHEMBL7800302 0.84 ECE1 (0.37) SRCBRD4NR1H2HSD11B1TP53
SCHEMBL29985450 0.83 ABCB1 (0.38) SRCBRD4TP53MEN1KMT2A
SCHEMBL21286395 0.83 ABCB1 (0.38) SRCBRD4TP53MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B JAK2 1007/4885JAK1 1970/4885SRC 1902/4885

“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.