SCHEMBL1617136

SCHEMBL1617136

NCCc1c(N)nc(N)nc1C1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.33
DCPS Q96C86 2/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL1617661 0.91 MBOAT4 (0.30) CYP2D6
SCHEMBL1512058 0.76 DHFR (0.35) DHFRDCPS
SCHEMBL1617080 0.76 MBOAT4 (0.33)
SCHEMBL1617597 0.73 CYP2D6 (0.43) DHFRDCPSCYP2D6
SCHEMBL6365583 0.70 GHSR (0.44) DHFRDCPS
SCHEMBL1617571 0.68 CYP2D6 (0.41) DHFRCYP2D6
SCHEMBL1617569 0.68 CYP2D6 (0.41) DHFRCYP2D6
SCHEMBL30784984 0.64 PIK3CA (0.39) DHFRDCPS
SCHEMBL6441884 0.63 HRH3 (0.40) DHFR
SCHEMBL28877816 0.62 DHFR (0.41) DHFR

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 15 patents. 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
US-20110218338-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Janseen Pharmaceutiacal NV 2011-09-08 US 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-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-8415366-B2 2-aminopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2013-04-09 US disclosed
US-20110218338-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Janseen Pharmaceutiacal NV 2011-09-08 US disclosed
US-20110160451-A1 2-Aminopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-06-30 US disclosed
US-20110160452-A1 2-Aminopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-06-30 US disclosed
US-7923451-B2 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents JANSSEN PHARMACEUTICA NV (BE) 2011-04-12 US disclosed
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 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-20130158259-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH2, HRH3 DHFR 856/4885DCPS 441/4885CYP2D6 1457/4885
US-20110160451-A1 2-Aminopyrimidine modulators of the histamine H4 receptor HRH4, HRH2, HRH3 DHFR 856/4885DCPS 441/4885CYP2D6 1457/4885
US-20110218338-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH2, HRH3 DHFR 874/4885DCPS 560/4885CYP2D6 1225/4885
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents HRH4, HRH2, HRH3 DHFR 3142/4885DCPS 567/4885CYP2D6 2655/4885
US-20130158258-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH2, HRH3 DHFR 856/4885DCPS 441/4885CYP2D6 1457/4885
US-20110160452-A1 2-Aminopyrimidine modulators of the histamine H4 receptor HRH4, HRH2, HRH3 DHFR 856/4885DCPS 441/4885CYP2D6 1457/4885

“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.