SCHEMBL3491328

SCHEMBL3491328

CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.40
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA9 Q16790 6/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ROCK1 Q13464 1/20 0.37
LIPG Q9Y5X9 6/20 0.36
LPL P06858 5/20 0.36
P4HB P07237 1/20 0.36

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
SCHEMBL2031833 0.86 F11 (0.39) F11F2PRSS1PRSS2PRSS3
SCHEMBL12069299 0.84 ROCK1 (0.46) F11F2PRSS1PRSS2PRSS3
SCHEMBL29897650 0.83 HSP90AA1 (0.43) F11F2PRSS1PRSS2PRSS3
SCHEMBL2799366 0.83 LIPG (0.38) F11F2PRSS1PRSS2PRSS3
SCHEMBL15538519 0.82 AR (0.45) F11F2PRSS1PRSS2PRSS3
SCHEMBL30032727 0.82 ALDH1A1 (0.41) F11F2PRSS1PRSS2PRSS3
SCHEMBL1044923 0.81 ROCK1 (0.47) F11F2PRSS1PRSS2PRSS3
SCHEMBL428319 0.80 F11 (0.44) F11F2PRSS1PRSS2PRSS3
SCHEMBL1163798 0.80 F11 (0.44) F11F2PRSS1PRSS2PRSS3
SCHEMBL16828504 0.80 CA1 (0.48) F11F2PRSS1PRSS2PRSS3

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
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
EP-2134179-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
EP-2134343-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
WO-2008124849-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
WO-2008124850-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 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 (3 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-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 F11 4300/4885F2 4643/4885PRSS1 3129/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 F11 4300/4885F2 4643/4885PRSS1 3129/4885
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 F11 4345/4885F2 3917/4885PRSS1 1369/4885

“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.