Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803376

SCHEMBL2803376

SCHEMBL2803376

CN1CCN(c2cc(-c3ccc4c(c3)CN(C(=O)OC3CCN(C(=O)NC5CCCC5)CC3)CC4)nc(N)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 6/20 0.42
▸ PDPK1 O15530 5/20 0.42
▸ AURKB Q96GD4 4/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ HTR3A P46098 1/20 0.40
▸ PRKD1 Q15139 1/20 0.40
▸ PRKD2 Q9BZL6 1/20 0.40
▸ AURKA O14965 3/20 0.40
▸ POLB P06746 1/20 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
SCHEMBL2803401 0.92 HRH4 (0.47) HRH4HTR3A
SCHEMBL2803781 0.91 HRH4 (0.49) HRH4HTR3A
SCHEMBL2804640 0.91 HRH4 (0.49) HRH4PDPK1HTR3APRKD1PRKD2
SCHEMBL2803403 0.90 POLB (0.50) HRH4PDPK1AURKBROCK1HTR3A
SCHEMBL2804318 0.89 HRH4 (0.48) HRH4HTR3A
SCHEMBL2805865 0.89 HRH4 (0.44) HRH4HTR3A
SCHEMBL13125554 0.87 HRH4 (0.46) HRH4HTR3A
SCHEMBL2808503 0.86 HRH4 (0.45) HRH4HTR3A
SCHEMBL2804940 0.86 HRH4 (0.43) HRH4HTR3A
SCHEMBL2803089 0.85 HRH4 (0.44) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US claimed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US claimed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US claimed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 — — WO claimed
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-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

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 HRH4 1/4885PDPK1 4248/4885AURKB 846/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 HRH4 1/4885PDPK1 3918/4885AURKB 1141/4885

“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.