SCHEMBL221545

SCHEMBL221545

N=C(N)c1ccc(NC(=O)C2CCC(N)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.70
PRSS1 P07477 3/20 0.70
PRSS2 P07478 3/20 0.70
PRSS3 P35030 3/20 0.70
ST14 Q9Y5Y6 3/20 0.70
TMPRSS6 Q8IU80 1/20 0.56
PLG P00747 1/20 0.55
F7 P08709 1/20 0.55
KLK5 Q9Y337 1/20 0.53
NAMPT P43490 2/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
GFER P55789 1/20 0.50
RAB9A P51151 1/20 0.50
ULK1 O75385 1/20 0.49
SMYD3 Q9H7B4 1/20 0.49

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
SCHEMBL6153470 0.88 NAMPT (0.56) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8512721 0.83 ST14 (1.00) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851403 0.83 ST14 (1.00) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8512585 0.83 ST14 (1.00) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8508917 0.80 ST14 (0.93) F2PRSS1PRSS2PRSS3ST14
SCHEMBL852298 0.80 ST14 (0.93) F2PRSS1PRSS2PRSS3ST14
SCHEMBL25845705 0.80 NAMPT (0.62) NAMPTKMT2AMEN1LMNAGAA
SCHEMBL851393 0.80 ST14 (0.72) F2PRSS1PRSS2PRSS3ST14
SCHEMBL13972924 0.80 KMT2A (0.62) NAMPTKMT2AMEN1LMNAGAA
SCHEMBL3211109 0.79 GAA (0.72) NAMPTKMT2AMEN1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 US disclosed
US-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 US disclosed
US-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 US disclosed
US-7888357-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2011-02-15 US disclosed
US-7888357-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2011-02-15 US disclosed
EP-2264014-A1 Substituted pyridazines as anti-inflammatory agents and protein kinase inhibitors Université Louis Pasteur (FR) 2010-12-22 EP disclosed
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 US disclosed
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 US disclosed
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 US disclosed
US-20060073472-A1 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death UNIVERSITE DE STRASBOURG (FR) 2006-04-06 US disclosed
EP-1430033-A4 ANTI-INFLAMMATORY AND PROTEIN KINASE INHIBITOR COMPOSITION AND METHOD OF USE UNIV NORTHWESTERN (US) 2004-12-15 EP disclosed
EP-1430033-A1 ANTI-INFLAMMATORY AND PROTEIN KINASE INHIBITOR COMPOSITION AND METHOD OF USE NORTHWESTERN UNIVERSITY (US) 2004-06-23 EP disclosed
US-20030176437-A1 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-09-18 US disclosed
WO-2003018563-A1 ANTI-INFLAMMATORY AND PROTEIN KINASE INHIBITOR COMPOSITION AND METHOD OF USE NORTHWESTERN UNIVERSITY (US) 2003-03-06 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 (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-20060073472-A1 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death CASP2, CASP1, DAPK2 F2 4340/4885PRSS1 1108/4885PRSS2 2079/4885
US-20030176437-A1 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death CASP2, CASP1, DAPK2 F2 4340/4885PRSS1 1108/4885PRSS2 2079/4885
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death CASP2, CASP1, DAPK2 F2 4340/4885PRSS1 1108/4885PRSS2 2079/4885

“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.