SCHEMBL1616409

SCHEMBL1616409

Nc1nc(Cl)cc(C2CCOC2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HRH4 Q9H3N8 4/20 0.38
HSP90AA1 P07900 4/20 0.37
HSP90AB1 P08238 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MAP3K12 Q12852 3/20 0.34
PIK3CA P42336 1/20 0.34
ADCY10 Q96PN6 1/20 0.33
S1PR2 O95136 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3797218 0.90 CYP1A2 (0.49) MAPTCYP1A2CYP2D6HRH4HSP90AA1
SCHEMBL5746766 0.81 HRH4 (0.50) MAPTCYP1A2CYP2D6HRH4HSP90AA1
SCHEMBL1615966 0.78 HRH4 (0.61) HRH4HSP90AA1HSP90AB1KDM4EHRH3
SCHEMBL3718738 0.78 HRH4 (0.56) HRH4HSP90AA1HSP90AB1KDM4EHRH3
SCHEMBL8321238 0.76 HRH4 (0.59) HRH4HSP90AA1HSP90AB1KDM4EHRH3
SCHEMBL16220100 0.74 CNR2 (0.32)
SCHEMBL21370583 0.74 PRMT5 (0.32) MAP3K12
SCHEMBL605196 0.73 HRH4 (0.37) CYP2D6HRH4HRH3
SCHEMBL16220098 0.73 KDM5B (0.40) MAPTCYP1A2CYP2D6MAP3K12PIK3CA
SCHEMBL23217688 0.72 PIK3CD (0.42) HSP90AA1MAP3K12PIK3CAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130158259-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-20110160452-A1 2-Aminopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-06-30 US disclosed
US-20110160451-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
EP-2124560-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP disclosed
WO-2008100565-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO 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 MAPT 1389/4885CYP1A2 3161/4885CYP2D6 1457/4885
US-20110160451-A1 2-Aminopyrimidine modulators of the histamine H4 receptor HRH4, HRH2, HRH3 MAPT 1389/4885CYP1A2 3161/4885CYP2D6 1457/4885
US-20110218338-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH2, HRH3 MAPT 1810/4885CYP1A2 2994/4885CYP2D6 1225/4885
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents HRH4, HRH2, HRH3 MAPT 1546/4885CYP1A2 3188/4885CYP2D6 2655/4885
US-20130158258-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH2, HRH3 MAPT 1389/4885CYP1A2 3161/4885CYP2D6 1457/4885
US-20110160452-A1 2-Aminopyrimidine modulators of the histamine H4 receptor HRH4, HRH2, HRH3 MAPT 1389/4885CYP1A2 3161/4885CYP2D6 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.