SCHEMBL2907526

SCHEMBL2907526

CN1CCC(CCCNc2cnc(-c3nc4ccccc4[nH]3)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.50
EGFR P00533 1/20 0.43
DRD3 P35462 1/20 0.41
ADORA2A P29274 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
METAP2 P50579 2/20 0.39
EPHX2 P34913 1/20 0.38
KDR P35968 3/20 0.37
PRKD3 O94806 1/20 0.37
PIM1 P11309 1/20 0.37
SRC P12931 1/20 0.37
FLT4 P35916 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
DYRK1A Q13627 1/20 0.37
PIM3 Q86V86 1/20 0.37
AURKB Q96GD4 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL13212519 0.84 HRH4 (0.59) HRH4EGFRDRD3KDRSRC
SCHEMBL2907596 0.82 HRH4 (0.63) HRH4KDRPRKD3PIM1SRC
SCHEMBL2915233 0.81 HRH4 (0.69) HRH4
SCHEMBL2908955 0.79 HRH4 (0.77) HRH4EGFRDRD3EPHX2KCNH2
SCHEMBL3476731 0.75 HRH4 (0.49) HRH4ADORA2ACDK9DGAT1KCNH2
SCHEMBL3475781 0.74 HRH4 (0.41) HRH4DGAT1KCNH2PKM
SCHEMBL3475384 0.74 HRH4 (0.46) HRH4ADORA2ACDK9DGAT1KCNH2
SCHEMBL3476347 0.73 HRH4 (0.46) HRH4DGAT1KCNH2
SCHEMBL3476323 0.73 JAK1 (0.44) HRH4DRD3DGAT1
SCHEMBL3476356 0.73 HRH4 (0.68) HRH4KDRPRKD3PIM1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007752-B1 BENZOIMIDAZOL-2-YL PYRIMIDINES AND PYRAZINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-08-18 EP claimed
US-20090137608-A1 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor EDWARDS JAMES P 2009-05-28 US claimed
EP-2007752-A4 BENZOIMIDAZOL-2-YL PYRIMIDINES AND PYRAZINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP claimed
US-7507737-B2 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-24 US claimed
EP-2007752-A2 BENZOIMIDAZOL-2-YL PYRIMIDINES AND PYRAZINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-31 EP claimed
WO-2007117399-A2 BENZOIMIDAZOL-2-YL PYRIMIDINES AND PYRAZINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 WO claimed
US-20070244126-A1 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-18 US claimed
US-9365548-B2 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2016-06-14 US disclosed
US-20150148361-A1 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2015-05-28 US disclosed
US-8962644-B2 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, NV (BE) 2015-02-24 US disclosed
US-20140038995-A1 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US disclosed
US-8598189-B2 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2013-12-03 US disclosed
US-20130072510-A1 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (US) 2013-03-21 US disclosed
US-8343989-B2 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2013-01-01 US disclosed
US-20100256373-A1 BENZOIMIDAZOL-2-YL PYRIMIDINES AND PYRAZINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR EDWARDS JAMES P 2010-10-07 US disclosed
US-20090137608-A1 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor EDWARDS JAMES P 2009-05-28 US disclosed
US-7507737-B2 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-24 US disclosed
US-20070244126-A1 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-18 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 (6 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-20070244126-A1 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor HRH4, HRH2, HRH3 HRH4 1/4885EGFR 1799/4885DRD3 1140/4885
US-20140038995-A1 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor HRH4, HRH2, HRH3 HRH4 1/4885EGFR 1799/4885DRD3 1140/4885
US-20090137608-A1 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor HRH4, HRH2, HRH3 HRH4 1/4885EGFR 1803/4885DRD3 1077/4885
US-20100256373-A1 BENZOIMIDAZOL-2-YL PYRIMIDINES AND PYRAZINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH2, HRH3 HRH4 1/4885EGFR 1803/4885DRD3 1077/4885
US-20150148361-A1 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor HRH4, HRH2, HRH3 HRH4 1/4885EGFR 1799/4885DRD3 1140/4885
US-20130072510-A1 Benzoimidazol-2-yl pyrimidines and pyrazines as modulators of the histamine H4 receptor HRH4, HRH2, HRH3 HRH4 1/4885EGFR 1803/4885DRD3 1077/4885

“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.