SCHEMBL2489947

SCHEMBL2489947

CN1CCN(c2cc(N3CCc4ccc(C(=O)N5Cc6ccccc6C5)cc4C3)nc(N)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.72
NUDT1 P36639 1/20 0.52
GRIN2D O15399 4/20 0.47
GRIN3B O60391 4/20 0.47
GRIN1 Q05586 4/20 0.47
GRIN2A Q12879 4/20 0.47
GRIN2B Q13224 4/20 0.47
GRIN2C Q14957 4/20 0.47
GRIN3A Q8TCU5 4/20 0.47
CHRM1 P11229 3/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
HTR3A P46098 1/20 0.45
HDAC6 Q9UBN7 1/20 0.43
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43

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
SCHEMBL2990040 0.90 HRH4 (0.61) HRH4NUDT1HTR3A
SCHEMBL2513586 0.85 HRH4 (0.67) HRH4NUDT1HTR3A
SCHEMBL604976 0.85 HRH4 (1.00) HRH4NUDT1GRIN2DGRIN3BGRIN1
SCHEMBL2513990 0.85 HRH4 (0.56) HRH4NUDT1HTR3A
SCHEMBL2997040 0.82 HRH4 (0.63) HRH4NUDT1HTR3A
SCHEMBL2517926 0.80 HRH4 (0.48) HRH4
SCHEMBL2494389 0.80 HRH4 (0.56) HRH4NUDT1
SCHEMBL3000177 0.78 HRH4 (0.61) HRH4NUDT1
SCHEMBL2492687 0.78 HRH4 (0.61) HRH4NUDT1HTR3A
SCHEMBL607391 0.78 HRH4 (1.00) HRH4HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US claimed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US claimed
EP-2379523-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS Incyte Corporation (US) 2011-10-26 EP claimed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US claimed
WO-2010075270-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS INCYTE CORPORATION (US) 2010-07-01 WO claimed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 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 (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-20100173901-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885NUDT1 419/4885GRIN2D 835/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885NUDT1 419/4885GRIN2D 835/4885

“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.