SCHEMBL482003

SCHEMBL482003

C[C@@H](Nc1nc(-c2cccc3ncccc23)ccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
GALR3 O60755 1/20 0.45
NR2F2 P24468 1/20 0.45
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
GBA1 P04062 1/20 0.42
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ERN1 O75460 1/20 0.40
FTO Q9C0B1 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL482004 1.00 POLB (0.45) POLBGALR3NR2F2HTTMAPT
SCHEMBL3955753 0.82 GALR3 (0.52) GALR3NR2F2HTTMAPTMEN1
SCHEMBL482067 0.81 CRHBP (0.46) POLBGALR3NR2F2HTTMAPT
SCHEMBL482212 0.81 CRHBP (0.46) POLBGALR3NR2F2HTTMAPT
SCHEMBL3956608 0.79 NPC1 (0.61) POLBHTTMAPTKMT2AGBA1
SCHEMBL482089 0.78 DYRK1A (0.47) GALR3NR2F2HTTMAPTMEN1
SCHEMBL18319456 0.72 LMNA (0.47) POLBHTTMAPTALDH1A1GAA
SCHEMBL18319457 0.72 MAPT (0.63) POLBHTTMAPTKMT2AALDH1A1
SCHEMBL30154407 0.72 MAPT (0.63) POLBHTTMAPTKMT2AALDH1A1
SCHEMBL482084 0.72 MAPT (0.63) POLBHTTMAPTKMT2AALDH1A1

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-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA POLB 1563/4885GALR3 2133/4885NR2F2 2276/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 POLB 1632/4885GALR3 2437/4885NR2F2 2664/4885

“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.