SCHEMBL420443

SCHEMBL420443

C1=CC(N2CCc3nc4ccc(-c5ccncc5)cc4n3CC2)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.38
HTR6 P50406 4/20 0.32
NPM1 P06748 1/20 0.32
ALK Q9UM73 1/20 0.32
CDK9 P50750 4/20 0.32
CCNT1 O60563 1/20 0.31
MAP4K4 O95819 1/20 0.31
CDK8 P49336 1/20 0.31
CLK2 P49760 1/20 0.31
CDK7 P50613 1/20 0.31
CDK5 Q00535 1/20 0.31
ACVR1 Q04771 1/20 0.31
ROCK1 Q13464 1/20 0.31
DYRK1A Q13627 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
PIK3CD O00329 1/20 0.31
PIP5K1C O60331 1/20 0.31
PIK3CA P42336 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
SCHEMBL422759 0.85 NOS3 (0.31)
SCHEMBL419641 0.85 HRH4 (0.37) HTR6MAP4K4CLK4
SCHEMBL421060 0.84 PIK3CD (0.37) DYRK1ALRRK2PIK3CDPIK3CAPIK3CB
SCHEMBL422577 0.82 TGFBR1 (0.36) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL420669 0.82 AAK1 (0.39) AAK1ACVR1LRRK2
SCHEMBL421661 0.81 NPC1 (0.36) LRRK2
SCHEMBL421175 0.81 DYRK1A (0.40) DYRK1A
SCHEMBL421258 0.81 CYP11B1 (0.42) CLK2ROCK1DYRK1A
SCHEMBL419618 0.81 FTO (0.38) ALK
SCHEMBL419061 0.81 MAPT (0.36) NPM1ALK

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 1200/4885HTR6 94/4885NPM1 4183/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 AAK1 1200/4885HTR6 94/4885NPM1 4183/4885

“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.