SCHEMBL847461

SCHEMBL847461

CC(C)(CO)CNc1cc(N2CC[C@@H](N)C2)cnn1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.48
HRH3 Q9Y5N1 2/20 0.39
NUDT1 P36639 1/20 0.35

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
SCHEMBL846417 0.89 HRH4 (0.52) HRH4HRH3
SCHEMBL847745 0.86 HRH4 (0.67) HRH4
SCHEMBL13574758 0.82 HRH4 (0.48) HRH4HRH3NUDT1
SCHEMBL1588830 0.81 HRH4 (0.57) HRH4
SCHEMBL19458964 0.81 HRH4 (0.57) HRH4
SCHEMBL1588715 0.81 HRH4 (0.57) HRH4
SCHEMBL1588554 0.79 HRH4 (0.73) HRH4
SCHEMBL1588270 0.79 HRH4 (0.73) HRH4
SCHEMBL19458862 0.79 HRH4 (0.73) HRH4
SCHEMBL1588246 0.79 HRH4 (0.45) HRH4NUDT1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841287-B2 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-23 US claimed
EP-2315521-B1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP claimed
JP-2011524363-A 2011-09-01 JP claimed
EP-2315521-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR Janssen Pharmaceutica NV (BE) 2011-05-04 EP claimed
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-04-21 US claimed
WO-2009152325-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 WO claimed
US-20170298022-A1 Diamino-Pyridine, Pyrimidine, and Pyridazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 US disclosed
US-20170298022-A1 Diamino-Pyridine, Pyrimidine, and Pyridazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 US disclosed
US-20170298022-A1 Diamino-Pyridine, Pyrimidine, and Pyridazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 US disclosed
US-9732087-B2 Diamino-pyridine, pyrimidine, and pyridazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-15 US disclosed
US-9732087-B2 Diamino-pyridine, pyrimidine, and pyridazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-15 US disclosed
US-9732087-B2 Diamino-pyridine, pyrimidine, and pyridazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-15 US disclosed
US-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2014-12-04 US disclosed
US-8841287-B2 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-23 US disclosed
US-8841287-B2 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-23 US disclosed
EP-2315521-B1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP disclosed
EP-2315521-B1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP disclosed
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-04-21 US 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 (3 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-20170298022-A1 Diamino-Pyridine, Pyrimidine, and Pyridazine Modulators of the Histamine H4 Receptor HRH4, HRH3, HRH1 HRH4 1/4885HRH3 2/4885NUDT1 120/4885
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885NUDT1 136/4885
US-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885NUDT1 136/4885

“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.