SCHEMBL420669

SCHEMBL420669

C1=CC(N2CCc3nc4ccc(-c5cn[nH]c5)cc4n3CC2)=C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.39
LRRK2 Q5S007 3/20 0.36
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ROCK2 O75116 4/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ACVR1 Q04771 1/20 0.33
MAP4K1 Q92918 1/20 0.32
AKT1 P31749 1/20 0.32
CHEK1 O14757 2/20 0.31
USP30 Q70CQ3 2/20 0.31
PRPS1 P60891 1/20 0.31
JUN P05412 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK10 P53779 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
SCHEMBL419618 0.83 FTO (0.38)
SCHEMBL420443 0.82 AAK1 (0.38) AAK1LRRK2ACVR1
SCHEMBL421661 0.82 NPC1 (0.36) LRRK2CYP11B1CYP11B2
SCHEMBL421060 0.80 PIK3CD (0.37) LRRK2PIM1PIM3PIM2CYP11B2
SCHEMBL419641 0.80 HRH4 (0.37) CHEK1
SCHEMBL422577 0.79 TGFBR1 (0.36) PIM1PIM3
SCHEMBL421258 0.78 CYP11B1 (0.42) PIM1PIM3PIM2ROCK2CYP11B1
SCHEMBL419061 0.77 MAPT (0.36)
SCHEMBL421303 0.77 KDM4E (0.40)
SCHEMBL420668 0.77 HRH3 (0.45) AAK1LRRK2PIM1PIM3PIM2

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 AAK1 1200/4885LRRK2 202/4885PIM1 3416/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 AAK1 1200/4885LRRK2 202/4885PIM1 3416/4885

“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.