SCHEMBL48336

SCHEMBL48336

CCn1cnc2ncncc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 1/20 0.47
LTA4H P09960 1/20 0.46
ADORA1 P30542 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CYP17A1 P05093 2/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
NPC1 O15118 5/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 4/20 0.31

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
SCHEMBL11066170 0.85 ADORA2A (0.50) ADORA2AHDAC6HDAC1LTA4HADORA1
SCHEMBL13044929 0.80 HDAC6 (0.47) ADORA2AHDAC6HDAC1LTA4HADORA1
SCHEMBL3671304 0.78 LTA4H (0.50) ADORA2AHDAC6HDAC1LTA4H
SCHEMBL13587965 0.78 LTA4H (0.56) ADORA2AHDAC6HDAC1LTA4HALDH1A1
SCHEMBL5635371 0.77 LTA4H (0.49) ADORA2AHDAC6HDAC1LTA4HMAPT
SCHEMBL3487811 0.77 HDAC6 (0.44) ADORA2AHDAC6HDAC1LTA4HNPC1
SCHEMBL21591536 0.75 LTA4H (0.48) ADORA2AHDAC6HDAC1LTA4HMAPT
SCHEMBL338773 0.75 HDAC6 (0.52) HDAC6HDAC1LTA4HKDM4EALDH1A1
SCHEMBL7109676 0.75 LTA4H (0.48) ADORA2AHDAC6HDAC1LTA4HMAPT
SCHEMBL325140 0.74 HDAC1 (0.61) ADORA2AHDAC6HDAC1LTA4HPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4169717-A METAL PROTEINATE AND GROWTH HORMONE ASHMEAD H H 1979-10-02 US claimed
US-20210253599-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH, INC. 2021-08-19 US disclosed
US-10900071-B2 Identification of genetic modifications WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2021-01-26 US disclosed
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2019-09-03 US disclosed
US-20190040457-A1 IDENTIFICATION OF GENETIC MODIFICATIONS WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2019-02-07 US disclosed
EP-3307755-A1 IDENTIFICATION OF GENETIC MODIFICATIONS Wake Forest University Health Sciences (US) 2018-04-18 EP disclosed
WO-2016183289-A1 IDENTIFICATION OF GENETIC MODIFICATIONS WAKE FOREST UNIVERSITY HEALTH SERVICES (US) 2016-11-17 WO disclosed
EP-2028272-B1 METHOD OF MODIFYING NUCLEOTIDE CHAIN PANASONIC CORP (JP) 2014-01-08 EP disclosed
US-8129115-B2 Method of modifying nucleotide chain PANASONIC CORPORATION (JP) 2012-03-06 US disclosed
US-7879863-B2 Kallikrein inhibitors such as N-((2R)-3-methyl-2-{[4-(trifluoromethyl)phenyl]amino}butyl)-2-phenylacetamide trifluoroacetate, used for the treatment of gastrointestinal disorders, periodontal diseases, skin disorders, arthritis, hypotension, edema, respiratory system disorders and proliferative diseases AJINOMOTO CO., INC. (JP) 2011-02-01 US disclosed
US-20100291637-A1 METHOD FOR MODIFYING NUCLEOTIDE CHAIN PANASONIC CORPORATION (JP) 2010-11-18 US disclosed
US-20100015670-A1 METHOD OF MODIFYING NUCLEOTIDE CHAIN PANASONIC CORPORATION (JP) 2010-01-21 US disclosed
WO-2009147476-A1 NOVEL PDE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-12-10 WO disclosed
EP-1647592-B1 METHOD OF MODIFYING NUCLEOTIDE CHAIN PANASONIC CORP (JP) 2009-03-11 EP disclosed
EP-2028272-A1 METHOD OF MODIFYING NUCLEOTIDE CHAIN Panasonic Corporation (JP) 2009-02-25 EP disclosed
US-20070077629-A1 Method for modifying nucleotide chain PANASONIC CORPORATION (JP) 2007-04-05 US disclosed
US-20070066586-A1 ANILINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2007-03-22 US disclosed
EP-1647592-A1 METHOD OF MODIFYING NUCLEOTIDE CHAIN MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2006-04-19 EP disclosed
US-4470840-A WITH SOLVENT, COMPOUNDS 2A,2B,3, AND 4, AND PLANT GROWTH REGULATOR BIOCHEMICAL RESEARCH CORPORATION (US) 1984-09-11 US disclosed
US-4455162-A POLAR SOLVENTS, METAL SALTS BIOCHEMICAL RESEARCH CORPORATION (US) 1984-06-19 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-20210253599-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER PIK3CA, PIK3CD, PIK3CB ADORA2A 3011/4885HDAC6 881/4885HDAC1 871/4885
US-20070066586-A1 ANILINE DERIVATIVES SERPINB1, ACE, REN ADORA2A 1105/4885HDAC6 664/4885HDAC1 1060/4885
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885HDAC6 1189/4885HDAC1 897/4885

“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.