SCHEMBL4593423

SCHEMBL4593423

N#CCOc1ccc(Cl)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.46
MRGPRX4 Q96LA9 2/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
VCAM1 P19320 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
XDH P47989 1/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.40
CYP2D6 P10635 3/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40

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
SCHEMBL1197763 0.82 MAPT (0.54) NOS2MRGPRX4KDM4EMAPTTDP1
SCHEMBL23677222 0.82 NOS2 (0.46) NOS2MRGPRX4MAOAMAOBVCAM1
SCHEMBL11028837 0.81 MRGPRX4 (0.53) MRGPRX4MAOAMAOBTDP1CYP2D6
Hydrochloric Acid SCHEMBL27743366 0.81 MAPT (0.52) NOS2MRGPRX4KDM4EMAPTTDP1
SCHEMBL6212985 0.79 XDH (0.60) MRGPRX4MAOAMAOBXDHSLC6A4
SCHEMBL11329798 0.79 MAPT (0.53) MRGPRX4KDM4EMAPTTDP1CYP2D6
SCHEMBL11031302 0.79 MEN1 (0.48) MRGPRX4KDM4EMAPTSLC6A2SLC6A4
SCHEMBL4918518 0.78 AR (0.47) NOS2MRGPRX4MAOAMAOBKDM4E
SCHEMBL7050401 0.78 MAOA (0.61) NOS2MRGPRX4MAOAMAOBVCAM1
SCHEMBL31441456 0.78 MAOA (0.61) NOS2MRGPRX4MAOAMAOBVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators ARGENTA DISCOVERY LTD. (GB) 2008-10-30 US disclosed
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators ARGENTA DISCOVERY LTD. (GB) 2008-10-30 US disclosed
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators ARGENTA DISCOVERY LTD. (GB) 2008-10-30 US disclosed
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
EP-1945646-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Cellzome (UK) Ltd. (GB) 2008-07-23 EP disclosed
EP-1812113-A1 PYRIMIDINE COMPOUNDS AS HISTAMINE MODULATORS Argenta Discovery Limited (GB) 2007-08-01 EP disclosed
EP-1776982-A1 Pyrimidine compounds as histamine modulators Argenta Discovery Limited (GB) 2007-04-25 EP disclosed
EP-1776982-A1 Pyrimidine compounds as histamine modulators Argenta Discovery Limited (GB) 2007-04-25 EP disclosed
WO-2007039467-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-04-12 WO disclosed
EP-1767537-A1 Pyrimidine compounds for the treatment of inflammatory disorders Cellzome (UK) Ltd. (GB) 2007-03-28 EP disclosed
WO-2006050965-A1 PYRIMIDINE COMPOUNDS AS HISTAMINE MODULATORS ARGENTA DISCOVERY LTD (GB) 2006-05-18 WO 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 (2 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-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders HRH4, HRH3, HRH2 NOS2 3232/4885MRGPRX4 92/4885MAOA 1938/4885
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators HRH4, HRH3, HRH2 NOS2 4414/4885MRGPRX4 62/4885MAOA 1620/4885

“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.