SCHEMBL2061576

SCHEMBL2061576

CCNC(=O)N(CCO)Cc1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.53
LMNA P02545 3/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 2/20 0.42
CETP P11597 1/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2061646 0.81 ALDH1A1 (0.40) ALDH1A1LMNAHPGDMAPTKMT2A
SCHEMBL13864482 0.77 ALDH1A1 (0.67) ALDH1A1LMNAHPGDMAPTKMT2A
Hydrochloric Acid SCHEMBL7597150 0.77 KMT2A (0.53) ALDH1A1LMNAHPGDMAPTKMT2A
SCHEMBL2061912 0.75 ALDH1A1 (0.39) ALDH1A1LMNAHPGDMAPTKMT2A
SCHEMBL13864518 0.74 ALDH1A1 (0.54) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL30780913 0.73 TDP1 (0.58) ALDH1A1LMNAHPGDMAPTKMT2A
SCHEMBL215804 0.73 TDP1 (0.58) ALDH1A1LMNAHPGDMAPTKMT2A
Hydrochloric Acid SCHEMBL7598139 0.73 SMN1; SMN2 (0.54) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL8973475 0.73 TDP1 (0.62) ALDH1A1LMNAHPGDMAPTKMT2A
SCHEMBL4524927 0.72 TDP1 (0.57) ALDH1A1LMNAHPGDMAPTKMT2A

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 9 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

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 77/4885LMNA 3814/4885HPGD 4822/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ALDH1A1 77/4885LMNA 3814/4885HPGD 4822/4885

“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.