SCHEMBL4365652

SCHEMBL4365652

C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 17/20 1.00
ROCK1 Q13464 3/20 1.00
AURKB Q96GD4 3/20 1.00
PLK1 P53350 3/20 1.00
CSNK1G1 Q9HCP0 3/20 1.00
ROCK2 O75116 2/20 1.00
CHEK2 O96017 2/20 1.00
GSK3A P49840 2/20 1.00
GSK3B P49841 2/20 1.00
PRKX P51817 2/20 1.00
CSNK1G2 P78368 2/20 1.00
CDC42BPA Q5VT25 2/20 1.00
CLK4 Q9HAZ1 2/20 1.00
STK17A Q9UEE5 2/20 1.00
CSNK1G3 Q9Y6M4 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2C9 P11712 2/20 1.00
PDGFRA P16234 2/20 1.00
MAPK1 P28482 2/20 1.00
RPS6KA1 Q15418 2/20 1.00

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
SCHEMBL4368075 1.00 MAPKAPK2 (1.00) MAPKAPK2ROCK1AURKBPLK1CSNK1G1
SCHEMBL4364169 1.00 MAPKAPK2 (1.00) MAPKAPK2ROCK1AURKBPLK1CSNK1G1
SCHEMBL4376007 0.92 MAPKAPK2 (0.86) MAPKAPK2ROCK1AURKBPLK1CSNK1G1
SCHEMBL4378173 0.92 MAPKAPK2 (0.85) MAPKAPK2ROCK1AURKBPLK1CSNK1G1
SCHEMBL17920542 0.89 MAPKAPK2 (0.80) MAPKAPK2ROCK1AURKBPLK1CSNK1G1
SCHEMBL4371766 0.89 MAPKAPK2 (0.91) MAPKAPK2ROCK1AURKBPLK1CSNK1G1
SCHEMBL4366807 0.88 MAPKAPK2 (0.79) MAPKAPK2ROCK1AURKBPLK1CSNK1G1
SCHEMBL4368077 0.87 MAPKAPK2 (0.78) MAPKAPK2ROCK1AURKBPLK1CSNK1G1
SCHEMBL4365525 0.86 MAPKAPK2 (0.76) MAPKAPK2ROCK1AURKBPLK1CSNK1G1
SCHEMBL4364001 0.86 MAPKAPK2 (1.00) MAPKAPK2ROCK1AURKBPLK1CSNK1G1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459570-B2 Transgenic mouse expressing amyloid precursor protein that has olfactory neuron degeneration THE GENERAL HOSPITAL CORPORATION (US) 2022-10-04 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20200308240-A1 Targeting Innate Immune Signaling in Neuroinflammation and Neurodegeneration THE GENERAL HOSPITAL CORPORATION 2020-10-01 US disclosed
US-20190352643-A1 METHODS FOR TREATING NEURODEGENERATIVE DISEASES THE GENERAL HOSPITAL CORPORATION 2019-11-21 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20190134153-A1 IMMUNOMODULATORY EFFECT OF INHALED KINASE INHIBITOR PEPTIDES IN LUNG MOERAE MATRIX, INC. 2019-05-09 US disclosed
US-20190031730-A1 FORMULATION OF MK2 INHIBITOR PEPTIDES MOERAE MATRIX, INC. (US) 2019-01-31 US disclosed
US-20190022176-A1 USE OF MK2 INHIBITOR PEPTIDE-CONTAINING COMPOSITIONS FOR TREATING NON-SMALL CELL LUNG CANCER WITH SAME MOERAE MATRIX, INC. 2019-01-24 US disclosed
US-9999655-B2 Use of MKS inhibitor peptide-containing compositions for treating non-small cell lung cancer with same MOERAE MATRIX, INC. (US) 2018-06-19 US disclosed
US-9999655-B2 Use of MKS inhibitor peptide-containing compositions for treating non-small cell lung cancer with same MOERAE MATRIX, INC. (US) 2018-06-19 US disclosed
US-20170335324-A1 METHODS FOR TREATING NEURODEGENERATIVE DISEASES NATIONAL INSTITUTES OF HEALTH 2017-11-23 US disclosed
US-20160263187-A1 USE OF MKS INHIBITOR PEPTIDE-CONTAINING COMPOSITIONS FOR TREATING NON-SMALL CELL LUNG CANCER WITH SAME MOERAE MATRIX, INC. 2016-09-15 US disclosed
US-20160263187-A1 USE OF MKS INHIBITOR PEPTIDE-CONTAINING COMPOSITIONS FOR TREATING NON-SMALL CELL LUNG CANCER WITH SAME MOERAE MATRIX, INC. 2016-09-15 US disclosed
US-20160200782-A1 FORMULATION OF MK2 INHIBITOR PEPTIDES MOERAE MATRIX, INC. 2016-07-14 US disclosed
US-20160200782-A1 FORMULATION OF MK2 INHIBITOR PEPTIDES MOERAE MATRIX, INC. 2016-07-14 US disclosed
WO-2016077595-A1 METHODS FOR TREATING NEURODEGENERATIVE DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2016-05-19 WO disclosed
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed
US-5605909-A REDUCING ADVERSE EFFECTS OF SMOOTH MUSCLE CONTRACTIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-25 US disclosed
US-5532245-A TO REDUCE SMOOTH MUSCLE CONTRACTIONS; TREATMENT FOR URINARY INCONTINENCE, IRITABLE BOWEL SYNDROME AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-02 US disclosed
US-5466712-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1995-11-14 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 (9 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-20170335324-A1 METHODS FOR TREATING NEURODEGENERATIVE DISEASES PSEN1, PSEN2, APP MAPKAPK2 2047/4885ROCK1 4350/4885AURKB 4436/4885
US-11459570-B2 Transgenic mouse expressing amyloid precursor protein that has olfactory neuron degeneration APP, PSEN1, PSEN2 MAPKAPK2 2726/4885ROCK1 4475/4885AURKB 4730/4885
US-20160200782-A1 FORMULATION OF MK2 INHIBITOR PEPTIDES MKNK2, NPY2R, PPP2R2A MAPKAPK2 14/4885ROCK1 837/4885AURKB 250/4885
US-20190352643-A1 METHODS FOR TREATING NEURODEGENERATIVE DISEASES PSEN2, NLN, HTT MAPKAPK2 1542/4885ROCK1 522/4885AURKB 3427/4885
US-20200308240-A1 Targeting Innate Immune Signaling in Neuroinflammation and Neurodegeneration TBK1, STAT1, IRF3 MAPKAPK2 84/4885ROCK1 349/4885AURKB 875/4885
US-20190022176-A1 USE OF MK2 INHIBITOR PEPTIDE-CONTAINING COMPOSITIONS FOR TREATING NON-SMALL CELL LUNG CANCER WITH SAME MKNK2, KSR2, MKNK1 MAPKAPK2 13/4885ROCK1 736/4885AURKB 182/4885
US-20190134153-A1 IMMUNOMODULATORY EFFECT OF INHALED KINASE INHIBITOR PEPTIDES IN LUNG IRAK1, IRAK2, IRAK4 MAPKAPK2 36/4885ROCK1 562/4885AURKB 435/4885
US-20190031730-A1 FORMULATION OF MK2 INHIBITOR PEPTIDES MKNK2, NPY2R, PPP2R2A MAPKAPK2 14/4885ROCK1 837/4885AURKB 250/4885
US-20160263187-A1 USE OF MKS INHIBITOR PEPTIDE-CONTAINING COMPOSITIONS FOR TREATING NON-SMALL CELL LUNG CANCER WITH SAME SRMS, MKNK1, MKNK2 MAPKAPK2 171/4885ROCK1 469/4885AURKB 110/4885

“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.