SCHEMBL420214

SCHEMBL420214

N#Cc1cncc(-c2ccc3nc4n(c3c2)CCN(C2CCC2)CC4)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.44
HRH3 Q9Y5N1 6/20 0.42
KCNH2 Q12809 3/20 0.42
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 4/20 0.39
BACE1 P56817 1/20 0.38
MAP4K4 O95819 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
KDM2B Q8NHM5 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL417601 0.92 HRH3 (0.44) IRAK4HRH3KCNH2CYP11B1CYP11B2
SCHEMBL419640 0.89 HRH3 (0.42) IRAK4HRH3KCNH2KDM2BNPC1
SCHEMBL420920 0.87 HRH3 (0.42) IRAK4HRH3KCNH2KDM2BNPC1
SCHEMBL421675 0.86 HRH3 (0.42) HRH3KCNH2KDM2BNPC1ALDH1A1
SCHEMBL419887 0.84 HRH3 (0.48) IRAK4HRH3CYP11B1CYP11B2MAP4K4
SCHEMBL420842 0.83 GRIN2B (0.38) IRAK4HRH3KCNH2CYP11B2NPC1
SCHEMBL420024 0.82 KDM2B (0.43) IRAK4HRH3KCNH2CYP11B1CYP11B2
SCHEMBL418639 0.81 PDE4A (0.39) HRH3KCNH2CYP11B1CYP11B2
SCHEMBL420442 0.81 KDM2B (0.40) IRAK4HRH3KDM2BNPC1ALDH1A1
SCHEMBL422754 0.81 MAPT (0.43) HRH3KCNH2KDM2BNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 IRAK4 2343/4885HRH3 1/4885KCNH2 678/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 IRAK4 2343/4885HRH3 1/4885KCNH2 678/4885

“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.