SCHEMBL848211

SCHEMBL848211

c1cc(N2CCNCC2)cc(NCC2CCCC2)n1

nearest known ligand 0.90

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.90
CHEK1 O14757 4/20 0.45
CDK7 P50613 1/20 0.44
AURKB Q96GD4 1/20 0.43
ADRB2 P07550 1/20 0.42
NCF1 P14598 1/20 0.42
PLD1 Q13393 1/20 0.42
MAPK14 Q16539 1/20 0.41

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
SCHEMBL846689 0.95 HRH4 (1.00) HRH4CHEK1CDK7ADRB2NCF1
SCHEMBL846262 0.85 HRH4 (0.67) HRH4
SCHEMBL846884 0.84 HRH4 (0.65) HRH4MAPK14
SCHEMBL1588124 0.82 HRH4 (0.69) HRH4CHEK1CDK7MAPK14
SCHEMBL1588022 0.80 HRH4 (0.71) HRH4
SCHEMBL859922 0.80 HRH4 (0.59) HRH4MAPK14
SCHEMBL859921 0.80 HRH4 (0.59) HRH4MAPK14
SCHEMBL1589035 0.80 HRH4 (0.67) HRH4
SCHEMBL847805 0.80 HRH4 (0.58) HRH4AURKB
SCHEMBL15721558 0.79 HRH4 (0.66) HRH4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298022-A1 Diamino-Pyridine, Pyrimidine, and Pyridazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 US claimed
US-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2014-12-04 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
CN-102118969-A Histamine H4Diaminopyridine, diaminopyrimidine, and diaminopyridazine modulators of receptors JANSSEN PHARMACEUTICA NV 2011-07-06 CN 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
EP-2315521-B1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP disclosed
CN-102118969-A Histamine H4Diaminopyridine, diaminopyrimidine, and diaminopyridazine modulators of receptors JANSSEN PHARMACEUTICA NV 2011-07-06 CN 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
WO-2009152325-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 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 (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 1/4885CHEK1 2713/4885CDK7 847/4885
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor HRH4, HRH3, HRH2 HRH4 1/4885CHEK1 2938/4885CDK7 852/4885
US-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor HRH4, HRH3, HRH2 HRH4 1/4885CHEK1 2938/4885CDK7 852/4885

“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.