SCHEMBL830110

SCHEMBL830110

O=c1nc(Nc2ncc3ccccc3n2)cc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.46
MAP3K5 Q99683 2/20 0.44
ACVR1 Q04771 1/20 0.40
FDPS P14324 1/20 0.39
PCSK9 Q8NBP7 1/20 0.36
HTR3A P46098 1/20 0.36
PDE10A Q9Y233 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
S1PR3 Q99500 1/20 0.33
CDK4 P11802 3/20 0.33
CCND1 P24385 3/20 0.33
CCND2 P30279 3/20 0.33
CCND3 P30281 3/20 0.33
CDK2 P24941 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL165738 0.79 ROCK1 (0.45) ROCK1MAP3K5ACVR1FDPSPCSK9
SCHEMBL9921201 0.78 MAP3K5 (0.46) ROCK1MAP3K5ACVR1FDPSPCSK9
SCHEMBL6467426 0.77 MAP3K5 (0.54) ROCK1MAP3K5ACVR1FDPSPCSK9
SCHEMBL1133352 0.73 KMT2A (0.48) ROCK1MAP3K5ACVR1SMN1; SMN2CDK4
SCHEMBL2113287 0.71 MAPT (0.55) ROCK1SMN1; SMN2CDK2MAPK1MEN1
Benzene SCHEMBL28188863 0.71 MAP3K5 (0.60) ROCK1MAP3K5SMN1; SMN2CDK4CCND1
SCHEMBL167891 0.71 MAP3K5 (0.60) ROCK1MAP3K5SMN1; SMN2CDK4CCND1
SCHEMBL27770482 0.71 MAP3K5 (0.60) ROCK1MAP3K5SMN1; SMN2CDK4CCND1
SCHEMBL31381352 0.71 MAP3K5 (0.60) ROCK1MAP3K5SMN1; SMN2CDK4CCND1
SCHEMBL25880451 0.70 MAP3K5 (0.47) ROCK1MAP3K5ACVR1FDPSSMN1; SMN2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190117683-A1 ALGINATE OLIGOMERS FOR THE TREATMENT OR PREVENTION OF MICROBIAL OVERGROWTH IN THE INTESTINAL TRACT ALGIPHARMA AS (NO) 2019-04-25 US claimed
US-20180055873-A1 USE OF ALGINATE OLIGOMERS AND CFTR MODULATORS IN THE TREATMENT OF CONDITIONS ASSOCIATED WITH CFTR DYSFUNCTION ALGIPHARMA AS (NO) 2018-03-01 US claimed
EP-3273995-A1 USE OF ALGINATE OLIGOMERS AND CFTR MODULATORS IN THE TREATMENT OF CONDITIONS ASSOCIATED WITH CFTR DYSFUNCTION ALGIPHARMA AS (NO) 2018-01-31 EP claimed
WO-2017060388-A1 ALGINATE OLIGOMERS FOR THE TREATMENT OR PREVENTION OF MICROBIAL OVERGROWTH IN THE INTESTINAL TRACT ALGIPHARMA AS (NO) 2017-04-13 WO claimed
WO-2016151051-A1 USE OF ALGINATE OLIGOMERS AND CFTR MODULATORS IN THE TREATMENT OF CONDITIONS ASSOCIATED WITH CFTR DYSFUNCTION ALGIPHARMA AS (NO) 2016-09-29 WO claimed
CN-111867634-B Enhancement of translocation of micro/nanoparticles across mucus layers using alginate oligomers 阿尔吉法玛公司 2024-06-11 CN disclosed
EP-3273995-B1 COMBINED USE OF ALGINATE OLIGOMERS AND THE CFTR MODULATOR LUMACAFTOR IN THE TREATMENT OF CONDITIONS ASSOCIATED WITH CFTR DYSFUNCTION ALGIPHARMA AS (NO) 2021-07-14 EP disclosed
US-20210030891-A1 USE OF ALGINATE OLIGOMERS TO ENHANCE THE TRANSLOCATION OF MICRO/NANOPARTICLES ACROSS MUCUS LAYERS ALGIPHARMA AS (NO) 2021-02-04 US disclosed
EP-3768323-A1 USE OF ALGINATE OLIGOMERS TO ENHANCE THE TRANSLOCATION OF MICRO/NANOPARTICLES ACROSS MUCUS LAYERS ALGIPHARMA AS (NO) 2021-01-27 EP disclosed
CN-111867634-A Enhanced translocation of micro/nanoparticles across the mucus layer using alginate oligomers 阿尔吉法玛公司 2020-10-30 CN disclosed
US-10751363-B2 Use of aliginate oligomers and CFTR modulators in treatment of conditions associated with CFTR dysfunction ALGIPHARMA AS (NO) 2020-08-25 US disclosed
WO-2019180047-A1 USE OF ALGINATE OLIGOMERS TO ENHANCE THE TRANSLOCATION OF MICRO/NANOPARTICLES ACROSS MUCUS LAYERS ALGIPHARMA AS (NO) 2019-09-26 WO disclosed
EP-2152266-A1 COMPOSITIONS AND METHODS FOR TREATING DISORDERS ASSOCIATED WITH SALT OR FLUID RETENTION Ironwood Pharmaceuticals, Inc. (US) 2010-02-17 EP disclosed
WO-2006101740-A3 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND USES THEREOF UNIV CALIFORNIA (US) 2009-06-04 WO disclosed
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US disclosed
WO-2008137318-A1 COMPOSITIONS AND METHODS FOR TREATING DISORDERS ASSOCIATED WITH SALT OR FLUID RETENTION IRONWOOD PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
EP-1863522-A2 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-12 EP disclosed
EP-1863522-A2 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-12 EP disclosed
WO-2006101740-A2 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-09-28 WO disclosed
WO-2006101740-A2 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-09-28 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 (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-20210030891-A1 USE OF ALGINATE OLIGOMERS TO ENHANCE THE TRANSLOCATION OF MICRO/NANOPARTICLES ACROSS MUCUS LAYERS MUC1, ALG1, ST3GAL3 ROCK1 3500/4885MAP3K5 3134/4885ACVR1 3969/4885
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof CFTR, ABCC5, QPCT ROCK1 3848/4885MAP3K5 3000/4885ACVR1 4195/4885

“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.