SCHEMBL1878650

SCHEMBL1878650

O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.67
POLB P06746 1/20 0.61
ALDH1A1 P00352 6/20 0.60
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
KDM4E B2RXH2 1/20 0.54
LMNA P02545 3/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSP90AA1 P07900 1/20 0.52
MAPT P10636 1/20 0.52
OPRK1 P41145 1/20 0.52

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
SCHEMBL10315570 0.99 SIGMAR1 (0.65) SIGMAR1POLBALDH1A1KMT2AMEN1
SCHEMBL15290028 0.97 SIGMAR1 (0.67) SIGMAR1POLBALDH1A1KMT2AMEN1
SCHEMBL3649483 0.89 SIGMAR1 (0.64) SIGMAR1POLBALDH1A1KMT2AMEN1
SCHEMBL4716170 0.89 SIGMAR1 (0.71) SIGMAR1POLBALDH1A1KMT2AMEN1
SCHEMBL367862 0.88 SIGMAR1 (0.63) SIGMAR1POLBALDH1A1KMT2AMEN1
SCHEMBL17653930 0.84 MEN1 (0.76) SIGMAR1POLBALDH1A1KMT2AMEN1
SCHEMBL4009613 0.84 SIGMAR1 (0.62) SIGMAR1POLBALDH1A1KMT2AMEN1
SCHEMBL15290051 0.83 SIGMAR1 (0.58) SIGMAR1POLBALDH1A1KMT2AMEN1
SCHEMBL1876940 0.82 RECQL (0.72) SIGMAR1POLBALDH1A1KMT2AMEN1
SCHEMBL402564 0.81 SIGMAR1 (0.59) SIGMAR1ALDH1A1KMT2AMEN1L3MBTL1

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
US-8962609-B2 Pyrimidine compounds as inhibitors of protein kinases IKK epsilon and/or TBK-1, processes for their preparation, and pharmaceutical compositions containing them DOMAINEX LIMITED (GB) 2015-02-24 US disclosed
US-20130267491-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMAINEX LIMITED (GB) 2013-10-10 US disclosed
US-7935819-B2 Cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-05-03 US disclosed
US-7935819-B2 Cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-05-03 US disclosed
US-20090082379-A1 Novel Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2009-03-26 US disclosed
US-20090082379-A1 Novel Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2009-03-26 US disclosed
EP-1979339-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2008-10-15 EP disclosed
WO-2007083017-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2007-07-26 WO disclosed
WO-2007083017-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2007-07-26 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-20090082379-A1 Novel Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKAR2B, CDK1, PRKX SIGMAR1 1211/4885POLB 1380/4885ALDH1A1 1761/4885
US-20130267491-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHUK, IKBKE, TBKBP1 SIGMAR1 4623/4885POLB 775/4885ALDH1A1 4264/4885

“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.