SCHEMBL2739490

SCHEMBL2739490

N=c1ccc(-c2ccccc2)nn1CCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 1.00
PRKCG P05129 2/20 1.00
PRKCB P05771 2/20 1.00
PRKCA P17252 2/20 1.00
PRKCH P24723 2/20 1.00
PRKCI P41743 2/20 1.00
PRKCE Q02156 2/20 1.00
PRKCQ Q04759 2/20 1.00
PRKCZ Q05513 2/20 1.00
PRKCD Q05655 2/20 1.00
PRKD1 Q15139 2/20 1.00
GABRA1 P14867 11/20 0.61
GABRB2 P47870 11/20 0.61
GABRP O00591 4/20 0.61
GABRD O14764 4/20 0.61
GABRB1 P18505 4/20 0.61
GABRG2 P18507 4/20 0.61
GABRB3 P28472 4/20 0.61
GABRA5 P31644 4/20 0.61
GABRA3 P34903 4/20 0.61

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
SCHEMBL2739491 1.00 PRKD3 (1.00) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2739506 0.94 PRKD3 (0.89) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2739509 0.92 PRKD3 (0.85) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2739508 0.92 PRKD3 (1.00) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2739504 0.87 PRKD3 (0.76) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2739500 0.86 PRKD3 (0.76) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2739501 0.85 PRKD3 (0.74) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL14658843 0.83 PRKD3 (0.71) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2739447 0.82 PRKD3 (0.69) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2739452 0.82 PRKD3 (0.69) PRKD3PRKCGPRKCBPRKCAPRKCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278305-B2 Myosin light chain kinase inhibitor compounds, compositions and related methods of use NORTHWESTERN UNIVERSITY (US) 2012-10-02 US claimed
US-20100240668-A1 Myosin Light Chain Kinase Inhibitor Compounds, Compositions and Related Methods of Use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-23 US claimed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100240668-A1 Myosin Light Chain Kinase Inhibitor Compounds, Compositions and Related Methods of Use MYLK, MYLK2, MYLK3 PRKD3 238/4885PRKCG 31/4885PRKCB 26/4885
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 PRKD3 293/4885PRKCG 151/4885PRKCB 41/4885

“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.