SCHEMBL420025

SCHEMBL420025

C1=CC(N2CCc3nc4ccc(-c5cccnc5)cc4n3CC2)=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.39
CYP1A2 P05177 4/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CYP11B2 P19099 10/20 0.38
CYP11B1 P15538 8/20 0.38
CYP17A1 P05093 3/20 0.38
CYP19A1 P11511 3/20 0.38
KDM4E B2RXH2 1/20 0.37
LRRK2 Q5S007 2/20 0.36
PIK3CD O00329 1/20 0.36
PIP5K1C O60331 1/20 0.36
PIK3CA P42336 1/20 0.36
PI4KA P42356 1/20 0.36

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
SCHEMBL420443 0.87 AAK1 (0.38) CLK4LRRK2PIK3CDPIP5K1CPIK3CA
SCHEMBL421060 0.84 PIK3CD (0.37) CYP3A4ALDH1A1CYP2D6CYP11B2LRRK2
SCHEMBL420215 0.82 CYP11B2 (0.39) CYP11B2CYP11B1
SCHEMBL422577 0.81 TGFBR1 (0.36) MAPK1PIK3CDPIK3CAPI4KAPI4KB
SCHEMBL420669 0.81 AAK1 (0.39) CYP11B2CYP11B1LRRK2
SCHEMBL21320580 0.81 CYP11B1 (0.47) CYP3A4CYP1A2MEN1ALDH1A1LMNA
SCHEMBL419641 0.80 HRH4 (0.37) CYP3A4CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL422759 0.80 NOS3 (0.31)
SCHEMBL422626 0.79 CSF1R (0.39) MEN1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL419618 0.79 FTO (0.38) ALDH1A1KDM4EDHFR

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 CYP3A4 3530/4885CYP1A2 3605/4885MEN1 1057/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 CYP3A4 3530/4885CYP1A2 3605/4885MEN1 1057/4885

“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.