SCHEMBL1617816

SCHEMBL1617816

Cc1cc(N2CCNCC2)nc(N)n1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.72
CRHBP P24387 2/20 0.70
CRHR2 Q13324 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
MAPT P10636 1/20 0.59
GFER P55789 1/20 0.59
HRH3 Q9Y5N1 7/20 0.58
CASP1 P29466 1/20 0.50
CASP4 P49662 1/20 0.50
CASP5 P51878 1/20 0.50
ADRB1 P08588 1/20 0.48
NCF1 P14598 1/20 0.48

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
SCHEMBL5788921 0.84 CRHBP (0.96) HRH4CRHBPCRHR2SMN1; SMN2MAPT
SCHEMBL2168885 0.83 HRH4 (0.75) HRH4HRH3
SCHEMBL24313224 0.82 CRHBP (1.00) HRH4CRHBPCRHR2SMN1; SMN2MAPT
SCHEMBL6600071 0.82 CRHBP (1.00) HRH4CRHBPCRHR2SMN1; SMN2MAPT
SCHEMBL655533 0.82 HRH4 (0.77) HRH4CRHBPCRHR2SMN1; SMN2HRH3
SCHEMBL14538233 0.82 CASP1 (0.53) HRH4CRHBPCRHR2SMN1; SMN2HRH3
SCHEMBL30376883 0.82 CASP1 (0.53) HRH4CRHBPCRHR2SMN1; SMN2HRH3
SCHEMBL1616232 0.81 HRH4 (0.72) HRH4CRHBPCRHR2SMN1; SMN2MAPT
SCHEMBL8565532 0.79 HRH4 (0.72) HRH4SMN1; SMN2MAPTHRH3CASP1
SCHEMBL5789932 0.79 CRHBP (1.00) HRH4CRHBPCRHR2SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2599386-A1 2-aminopyrimidine modulators of the histamine h4 receptor Janssen Pharmaceutica N.V. (BE) 2013-06-05 EP claimed
EP-2124560-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP claimed
WO-2008100565-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO claimed
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US claimed
US-8716475-B2 2-aminopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2014-05-06 US disclosed
US-20130158258-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (US) 2013-06-20 US disclosed
US-20130158258-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (US) 2013-06-20 US disclosed
US-20130158259-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (US) 2013-06-20 US disclosed
US-20130158259-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (US) 2013-06-20 US disclosed
US-20130158259-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (US) 2013-06-20 US disclosed
US-20130158258-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (US) 2013-06-20 US disclosed
EP-2599386-A1 2-aminopyrimidine modulators of the histamine h4 receptor Janssen Pharmaceutica N.V. (BE) 2013-06-05 EP disclosed
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US disclosed
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US disclosed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 WO disclosed
US-4980350-A Piperazinylalkylpyrimidines as hypoglycemic agents MERCK & CO., INC. (US) 1990-12-25 US disclosed
EP-0200968-B1 SUCCINIMIDE DERIVATIVES, THEIR PRODUCTION AND USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-08-29 EP disclosed
EP-0330263-A1 Piperazinylalkylpyrimidines as hypoglycemic agents MERCK & CO. INC. (US) 1989-08-30 EP disclosed
US-4843078-A ANXIOLYTIC AGENTS SUMITONO PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-06-27 US disclosed
EP-0200968-A1 Succinimide derivatives, their production and use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-11-12 EP 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-20130158259-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH2, HRH3 HRH4 1/4885CRHBP 1702/4885CRHR2 1053/4885
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents HRH4, HRH2, HRH3 HRH4 1/4885CRHBP 1789/4885CRHR2 1230/4885
US-20130158258-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH2, HRH3 HRH4 1/4885CRHBP 1702/4885CRHR2 1053/4885

“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.