SCHEMBL2062771

SCHEMBL2062771

CC(C)(C)OC(=O)CN(Cc1ccc([N+](=O)[O-])cc1N)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.43
ITGB7 P26010 3/20 0.43
RAB9A P51151 3/20 0.41
NR1D1 P20393 3/20 0.40
PDE1C Q14123 1/20 0.39
CYP19A1 P11511 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2913482 0.87 RAB9A (0.46) ITGA4ITGB7RAB9APDE1CCYP19A1
SCHEMBL10093003 0.81 NR1D1 (0.45) ITGA4ITGB7NR1D1MAPT
SCHEMBL2060836 0.79 NR1D1 (0.45) ITGA4ITGB7NR1D1MAPTKMT2A
SCHEMBL27780713 0.78 RAB9A (0.39) ITGA4ITGB7RAB9APDE1CCYP19A1
SCHEMBL782973 0.77 ALDH1A1 (0.47) MAPTKMT2A
SCHEMBL12330698 0.75 ALDH1A1 (0.42) ITGA4ITGB7RAB9ANR1D1
SCHEMBL13721704 0.74 HDAC3 (0.47)
SCHEMBL12722685 0.74 CTSL (0.44) KMT2A
SCHEMBL782974 0.74 ALDH1A1 (0.44) MAPTKMT2A
SCHEMBL6046660 0.73 NR1D1 (0.51) RAB9ANR1D1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET ITGA4 1883/4885ITGB7 3481/4885RAB9A 2927/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ITGA4 1883/4885ITGB7 3481/4885RAB9A 2927/4885

“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.