SCHEMBL1253576

SCHEMBL1253576

CC1Nc2ncc(Br)cc2CNC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MB P02144 1/20 0.37
GSK3B P49841 2/20 0.34
NNMT P40261 1/20 0.34
AKR1B1 P15121 1/20 0.32
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
FYN P06241 1/20 0.31
RET P07949 1/20 0.31
MET P08581 1/20 0.31
PDGFRB P09619 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 1/20 0.31
PDGFRA P16234 1/20 0.31
FLT1 P17948 1/20 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
SCHEMBL1253572 1.00 MB (0.37) MBGSK3BNNMTAKR1B1AURKA
SCHEMBL2849442 0.77 MB (0.37) MBGSK3BNNMTAKR1B1AURKA
SCHEMBL2844929 0.77 MB (0.37) MBGSK3BNNMTAKR1B1AURKA
SCHEMBL2844934 0.77 MB (0.37) MBGSK3BNNMTAKR1B1AURKA
SCHEMBL1252548 0.74 GSK3B (0.54) GSK3B
SCHEMBL1252551 0.74 GSK3B (0.54) GSK3B
SCHEMBL15951381 0.73 MB (0.66) MBGSK3BAKR1B1AURKADAPK3
SCHEMBL1253776 0.73 MB (0.41) MBGSK3BNNMTAURKADAPK3
SCHEMBL20075991 0.71 NNMT (0.56) NNMTAKR1B1DYRK1A
SCHEMBL2845174 0.70 PNMT (0.44) NNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US disclosed
US-8450307-B2 Therapeutic agents, and methods of making and using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-05-28 US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 US disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 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 (4 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-20100093705-A1 Therapeutic agents, and methods of making and using the same MCL1, DHFR, ANXA5 MB 367/4885GSK3B 4084/4885NNMT 619/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF MB 1817/4885GSK3B 2255/4885NNMT 3863/4885
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME MCL1, DHFR, ANXA5 MB 367/4885GSK3B 4084/4885NNMT 619/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF MB 1817/4885GSK3B 2255/4885NNMT 3863/4885

“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.