SCHEMBL1521568

SCHEMBL1521568

CCNc1cc(N(C)OC)ncc1CNc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPK1 P28482 2/20 0.48
ALDH3A1 P30838 1/20 0.43
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 5/20 0.36
EGFR P00533 1/20 0.36
RECQL P46063 1/20 0.35
GCG P01275 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CA1 P00915 1/20 0.34
MMP2 P08253 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL1522003 0.91 GAA (0.50) GAAPKMALDH1A1MAPTMEN1
SCHEMBL1521632 0.75 MAPT (0.34) GAAPKMALDH1A1MAPTMEN1
SCHEMBL1521531 0.74 MAPT (0.37) GAAPKMALDH1A1MAPTMEN1
SCHEMBL1521438 0.73 GAA (0.46) GAAPKMALDH1A1MAPTMEN1
SCHEMBL1521528 0.72 MAPT (0.52) GAAPKMALDH1A1MAPTMEN1
SCHEMBL1521377 0.70 PDE5A (0.33)
SCHEMBL1521941 0.70 MAPT (0.49) GAAPKMALDH1A1MAPTMEN1
SCHEMBL1521507 0.67 GAA (0.47) GAAPKMALDH1A1MAPTMEN1
SCHEMBL1521737 0.64 FGFR1 (0.43) MAPT
SCHEMBL7128898 0.64 HTR6 (0.62) GAAPKMALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases FLYNN DANIEL L 2011-05-19 US disclosed
US-7897762-B2 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2011-03-01 US disclosed
US-20090099190-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2009-04-16 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-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases BRAF, PRKDC, RAF1 GAA 4704/4885PKM 505/4885ALDH1A1 1389/4885
US-20090099190-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 GAA 4704/4885PKM 505/4885ALDH1A1 1389/4885

“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.