SCHEMBL264943

SCHEMBL264943

COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
LMNA P02545 3/20 0.64
MAPT P10636 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.54
SLC6A5 Q9Y345 4/20 0.51
SLC6A9 P48067 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 1/20 0.50
IDE P14735 1/20 0.49

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
SCHEMBL24993657 0.90 ALDH1A1 (0.68) ALDH1A1LMNAMAPTSMN1; SMN2SLC6A5
SCHEMBL28923676 0.89 ALDH1A1 (0.67) ALDH1A1LMNAMAPTSMN1; SMN2SLC6A5
SCHEMBL25403643 0.87 ALDH1A1 (0.64) ALDH1A1LMNAMAPTSMN1; SMN2SLC6A5
SCHEMBL29803356 0.84 ALDH1A1 (0.67) ALDH1A1LMNAMAPTSMN1; SMN2SLC6A5
SCHEMBL6808636 0.84 ALDH1A1 (0.67) ALDH1A1LMNAMAPTSMN1; SMN2SLC6A5
SCHEMBL1810972 0.84 ALDH1A1 (0.70) ALDH1A1LMNAMAPTSMN1; SMN2SLC6A5
SCHEMBL29803658 0.84 ALDH1A1 (0.70) ALDH1A1LMNAMAPTSMN1; SMN2SLC6A5
SCHEMBL25404908 0.84 ALDH1A1 (0.70) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL31639389 0.84 ALDH1A1 (0.70) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL2531674 0.84 ALDH1A1 (0.70) ALDH1A1LMNAMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8604042-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2013-12-10 US disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
EP-1951684-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES Targegen, Inc. (US) 2008-08-06 EP disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 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 (5 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK ALDH1A1 3662/4885LMNA 4525/4885MAPT 4206/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 ALDH1A1 3235/4885LMNA 4817/4885MAPT 3127/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 ALDH1A1 3235/4885LMNA 4817/4885MAPT 3127/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 ALDH1A1 3235/4885LMNA 4817/4885MAPT 3127/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 ALDH1A1 3235/4885LMNA 4817/4885MAPT 3127/4885

“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.