SCHEMBL420215

SCHEMBL420215

N#Cc1cncc(-c2ccc3nc4n(c3c2)CCN(C2=CC=C2)CC4)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.39
CYP11B1 P15538 3/20 0.39
MAP4K4 O95819 1/20 0.38
PIK3CG P48736 1/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
IRAK4 Q9NWZ3 5/20 0.33
CHEK1 O14757 1/20 0.31
GRIA2 P42262 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
KCNH2 Q12809 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
CDC42BPB Q9Y5S2 1/20 0.31

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
SCHEMBL417602 0.92 CYP11B2 (0.39) CYP11B2CYP11B1MAP4K4PIK3CGGSK3B
SCHEMBL419641 0.89 HRH4 (0.37) MAP4K4CHEK1HRH3
SCHEMBL419888 0.84 HRH3 (0.36) CYP11B2CYP11B1MAP4K4HRH3
SCHEMBL420025 0.82 CYP3A4 (0.39) CYP11B2CYP11B1
SCHEMBL418640 0.81 CYP11B1 (0.39) CYP11B2CYP11B1
SCHEMBL420443 0.81 AAK1 (0.38) MAP4K4PIK3CGDYRK1AROCK1
SCHEMBL422755 0.81 HRH4 (0.39) CHEK1HRH3KCNH2
SCHEMBL420214 0.78 IRAK4 (0.44) CYP11B2CYP11B1MAP4K4PIK3CGGSK3B
SCHEMBL420295 0.78 MAP4K1 (0.39) CHEK1HRH3KCNH2
SCHEMBL417644 0.78 GRM2 (0.38) CYP11B2CYP11B1HRH3

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 CYP11B2 3139/4885CYP11B1 3789/4885MAP4K4 1270/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 CYP11B2 3139/4885CYP11B1 3789/4885MAP4K4 1270/4885

“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.