SCHEMBL15880409

SCHEMBL15880409

COc1cc(C(=O)N2CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.55
MEN1 O00255 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 2/20 0.53
HSP90AA1 P07900 1/20 0.53
MAPK1 P28482 1/20 0.53
SIRT6 Q8N6T7 1/20 0.52
BLM P54132 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
SCHEMBL11297785 0.95 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMEN1HTT
SCHEMBL520107 0.95 SIRT6 (0.61) ALDH1A1KDM4ELMNAMEN1HTT
SCHEMBL12312127 0.95 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMEN1HTT
SCHEMBL1784262 0.94 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAMEN1HTT
SCHEMBL5410268 0.91 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAMEN1HTT
SCHEMBL12312156 0.91 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAMEN1HTT
SCHEMBL11299599 0.91 PKM (0.52) ALDH1A1KDM4ELMNAMEN1HTT
SCHEMBL29833145 0.91 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAMEN1HTT
SCHEMBL16982450 0.90 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAMEN1HTT
SCHEMBL16982336 0.90 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795607-B2 Substituted pyrrolopyrimidine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-10-24 US disclosed
EP-3202403-A1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2017-08-09 EP disclosed
EP-2945636-B1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2017-06-28 EP disclosed
US-20160324861-A1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICAL LLC (US) 2016-11-10 US disclosed
US-9428509-B2 Substituted pyrrolopyrimidine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2016-08-30 US disclosed
US-9346812-B2 Substituted pyrrolopyrimidine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2016-05-24 US disclosed
EP-2945636-A2 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2015-11-25 EP disclosed
WO-2014113429-A2 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2014-07-24 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 (1 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-20160324861-A1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BRCA1, DPYD, TYMP ALDH1A1 647/4885KDM4E 668/4885LMNA 3124/4885

“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.