SCHEMBL2993455

SCHEMBL2993455

CNC(=O)Cn1cc(-c2ccc3c(c2)CN(c2cc(N4CCN(C)CC4)nc(N)n2)C(C)C3)cn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.40
WNT1 P04628 4/20 0.38
GSK3B P49841 4/20 0.38
DYRK1A Q13627 4/20 0.38
PAICS P22234 2/20 0.38
HRH4 Q9H3N8 4/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36

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
SCHEMBL2532614 0.92 HRH4 (0.39) SCDWNT1GSK3BDYRK1APAICS
SCHEMBL3470840 0.92 HRH4 (0.39) WNT1GSK3BDYRK1APAICSHRH4
SCHEMBL2997086 0.90 LRRK2 (0.39) WNT1GSK3BDYRK1AHRH4CCNC
SCHEMBL13243544 0.88 WNT1 (0.38) WNT1GSK3BDYRK1APAICSHRH4
SCHEMBL2996570 0.88 HRH4 (0.38) WNT1GSK3BDYRK1APAICSHRH4
SCHEMBL2996802 0.88 HRH4 (0.41) HRH4
SCHEMBL2559263 0.88 HRH4 (0.42) WNT1GSK3BDYRK1AHRH4
SCHEMBL2513947 0.86 HRH4 (0.41) HRH4
SCHEMBL2515304 0.85 PIK3CD (0.42) HRH4
SCHEMBL2547197 0.85 HRH4 (0.40) HRH4

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-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
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US 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 SCD 4340/4885WNT1 2505/4885GSK3B 3460/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 SCD 4340/4885WNT1 2505/4885GSK3B 3460/4885

“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.