SCHEMBL420295

SCHEMBL420295

N#Cc1ccc(-c2cnc3nc4n(c3c2)CCN(C2=CC=C2)CC4)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
KCNH2 Q12809 1/20 0.38
USP30 Q70CQ3 3/20 0.37
RIPK1 Q13546 1/20 0.35
HRH4 Q9H3N8 3/20 0.34
CHEK1 O14757 1/20 0.32
KIT P10721 1/20 0.32
PGR P06401 1/20 0.32
PARP1 P09874 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
SLC6A7 Q99884 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
FLT1 P17948 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
SCHEMBL422755 0.84 HRH4 (0.39) HRH3KCNH2HRH4CHEK1PGR
SCHEMBL419641 0.84 HRH4 (0.37) HRH3HRH4CHEK1PGREGLN2
SCHEMBL417644 0.79 GRM2 (0.38) HRH3
SCHEMBL417602 0.78 CYP11B2 (0.39) HRH3KCNH2CHEK1
SCHEMBL420215 0.78 CYP11B2 (0.39) HRH3KCNH2CHEK1
SCHEMBL419888 0.77 HRH3 (0.36) HRH3
SCHEMBL419568 0.77 CYP11B2 (0.33)
SCHEMBL420351 0.77 HRH4 (0.37) HRH3HRH4
SCHEMBL421682 0.76 CYP3A4 (0.40) HRH3KCNH2
SCHEMBL417387 0.74 SCN7A (0.44) HRH3KCNH2

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 MAP4K1 1275/4885HRH3 1/4885KCNH2 678/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAP4K1 1275/4885HRH3 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.