SCHEMBL2804354

SCHEMBL2804354

CN1CCN(c2cc(-c3cc4c(cc3F)CCN(C(=O)OC(C)(C)C)C4)nc(N)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
ESR2 Q92731 1/20 0.44
MAP3K5 Q99683 1/20 0.42
HRH4 Q9H3N8 6/20 0.41
HTR3A P46098 1/20 0.41

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
SCHEMBL2803022 0.90 NR1H2 (0.48) NR1H2ESR2HRH4HTR3A
SCHEMBL2803382 0.84 NR1H2 (0.57) NR1H2ESR2HRH4HTR3A
SCHEMBL2804517 0.79 HRH4 (0.45) MAP3K5HRH4HTR3A
SCHEMBL2808580 0.79 HRH4 (0.49) HRH4HTR3A
SCHEMBL2808590 0.77 NR1H2 (0.48) NR1H2HRH4HTR3A
SCHEMBL4171400 0.75 NR1H2 (0.65) NR1H2ESR2MAP3K5
SCHEMBL17065001 0.75 NR1H2 (0.65) NR1H2ESR2MAP3K5
SCHEMBL29741602 0.75 NR1H2 (0.65) NR1H2ESR2MAP3K5
SCHEMBL31067606 0.75 NR1H2 (0.65) NR1H2ESR2MAP3K5
SCHEMBL2806641 0.74 NR1H2 (0.45) NR1H2HRH4HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 NR1H2 474/4885ESR2 1342/4885MAP3K5 1604/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 NR1H2 511/4885ESR2 683/4885MAP3K5 1050/4885

“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.