SCHEMBL878145

SCHEMBL878145

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 4/20 0.34
F2 P00734 3/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
DGAT1 O75907 1/20 0.34
BACE1 P56817 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
HIF1A Q16665 2/20 0.33
P4HB P07237 1/20 0.33
FFAR1 O14842 1/20 0.32
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA9 Q16790 4/20 0.31
CA12 O43570 2/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31

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
SCHEMBL14081665 0.82 CYP1A2 (0.39) F11F2PRSS1PRSS2PRSS3
SCHEMBL20561771 0.78 HIF1A (0.37) F11F2PRSS1PRSS2PRSS3
SCHEMBL19190535 0.78 CA1 (0.33) DGAT1AAK1HIF1AFFAR1CA1
SCHEMBL15866395 0.77 CA1 (0.36) F11F2PRSS1PRSS2PRSS3
SCHEMBL20561766 0.76 HIF1A (0.36) F11DGAT1HIF1AP4HBFFAR1
SCHEMBL1460470 0.74 USP30 (0.39) F11F2PRSS1PRSS2PRSS3
SCHEMBL1622731 0.74 NR4A2 (0.38) DGAT1AAK1HIF1ACA1CA2
SCHEMBL22655301 0.74 CSF1R (0.38) BACE1FFAR1CA1CA2CA9
SCHEMBL35210968 0.73 ROCK1 (0.34) CA1CA2CA9CA12
SCHEMBL16650743 0.71 LPL (0.33) F11BACE1FFAR1CA1CA2

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-8569281-B2 Compounds and their administration for treating a neurodegenerative disease as well as a method for identifying a compound capable of inhibiting a kinase, such as LRRK MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-29 US disclosed
EP-2619201-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 Medical Research Council Technology (GB) 2013-07-31 EP disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 WO disclosed
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 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-20120295883-A1 COMPOUNDS ABCC5, PRNP, PC F11 4061/4885F2 4028/4885PRSS1 1327/4885

“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.