SCHEMBL1617569

SCHEMBL1617569

NCCc1c(N)nc(N)nc1C1CC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.41
HTR2C P28335 8/20 0.38
MAOB P27338 8/20 0.38
HTR2B P41595 6/20 0.38
HTR2A P28223 4/20 0.38
DHFR P00374 1/20 0.35
MAOA P21397 6/20 0.35
KDM1A O60341 4/20 0.35
CYP2C19 P33261 4/20 0.35
CYP2B6 P20813 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2A6 P11509 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL1617571 1.00 CYP2D6 (0.41) CYP2D6HTR2CMAOBHTR2BHTR2A
SCHEMBL1617597 0.77 CYP2D6 (0.43) CYP2D6DHFR
SCHEMBL9607815 0.73 CSNK1A1 (0.43) CYP2D6HTR2CMAOBHTR2BHTR2A
SCHEMBL1617136 0.68 DHFR (0.33) CYP2D6DHFR
SCHEMBL1617661 0.66 MBOAT4 (0.30) CYP2D6
SCHEMBL463895 0.66 MAOB (0.56) CYP2D6HTR2CMAOBHTR2BHTR2A
SCHEMBL8845464 0.65 MAOB (0.65) CYP2D6HTR2CMAOBHTR2BHTR2A
SCHEMBL10540521 0.65 MAOB (0.65) CYP2D6HTR2CMAOBHTR2BHTR2A
SCHEMBL2261976 0.65 MAOB (0.65) CYP2D6HTR2CMAOBHTR2BHTR2A
SCHEMBL605028 0.64 HRH4 (0.48) HTR2CMAOBHTR2BHTR2A

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-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
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 CYP2D6 1457/4885HTR2C 87/4885MAOB 2945/4885
US-20110160451-A1 2-Aminopyrimidine modulators of the histamine H4 receptor HRH4, HRH2, HRH3 CYP2D6 1457/4885HTR2C 87/4885MAOB 2945/4885
US-20110218338-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH2, HRH3 CYP2D6 1225/4885HTR2C 115/4885MAOB 3246/4885
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents HRH4, HRH2, HRH3 CYP2D6 2655/4885HTR2C 199/4885MAOB 3336/4885
US-20130158258-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH2, HRH3 CYP2D6 1457/4885HTR2C 87/4885MAOB 2945/4885
US-20110160452-A1 2-Aminopyrimidine modulators of the histamine H4 receptor HRH4, HRH2, HRH3 CYP2D6 1457/4885HTR2C 87/4885MAOB 2945/4885

“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.