SCHEMBL2062014

SCHEMBL2062014

CN1C(=O)CCC(C)(C)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
CASP6 P55212 2/20 0.47
CASP1 P29466 1/20 0.47
CASP3 P42574 1/20 0.47
CASP4 P49662 1/20 0.47
CASP7 P55210 1/20 0.47
CASP9 P55211 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
HSPA9 P38646 1/20 0.43

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
SCHEMBL9593368 0.87 ALDH1A1 (0.51) ALDH1A1GAACASP6CASP1CASP3
SCHEMBL2061813 0.83 CASP6 (0.41) ALDH1A1GAACASP6CASP1CASP3
SCHEMBL2060570 0.78 ATAD2 (0.39) HSPA9OPRK1L3MBTL1NR1H2NR1H3
SCHEMBL2488932 0.77 LMNA (0.54) ALDH1A1GAACASP6CASP1CASP3
SCHEMBL3041124 0.77 SIRT2 (0.63) ALDH1A1GAACASP6CASP1CASP3
SCHEMBL16618985 0.75 LMNA (0.52) ALDH1A1GAACASP6CASP1CASP3
SCHEMBL15543815 0.75 CASP1 (0.53) ALDH1A1GAACASP6CASP1CASP3
SCHEMBL5458078 0.75 LMNA (0.51) ALDH1A1GAACASP6CASP1CASP3
SCHEMBL2061328 0.75 RARA (0.43) ALDH1A1GAACASP6CASP1CASP3
SCHEMBL2063017 0.75 CYP1A2 (0.41) ALDH1A1GAACASP6SMN1; SMN2POLB

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 11 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
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP 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
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
US-5216148-A Treating, preventing neoplasms, dermatoses, aging of skin HOFFMANN-LA ROCHE INC. (US) 1993-06-01 US disclosed
EP-0504695-A1 New carboxamides, their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE AG (CH) 1992-09-23 EP 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 ALDH1A1 77/4885GAA 3538/4885CASP6 1579/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ALDH1A1 77/4885GAA 3538/4885CASP6 1579/4885

“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.