SCHEMBL420019

SCHEMBL420019

COc1cncc(-c2ccc3nc4n(c3c2)CCN(C2=CC=C2)CC4)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.38
CYP11B1 P15538 1/20 0.37
LRRK2 Q5S007 3/20 0.35
ALK Q9UM73 2/20 0.34
MAT2A P31153 4/20 0.34
BACE1 P56817 3/20 0.33
FFAR4 Q5NUL3 2/20 0.33
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
NPM1 P06748 1/20 0.32
TBK1 Q9UHD2 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 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
SCHEMBL418980 0.86 MAT2A (0.36) LRRK2MAT2ABACE1KDM4EUSP2
SCHEMBL421120 0.84 PIM2 (0.41) CYP11B2CYP11B1ALKPIM1PIM2
SCHEMBL421258 0.83 CYP11B1 (0.42) CYP11B2CYP11B1PIM1PIM3PIM2
SCHEMBL421060 0.82 PIK3CD (0.37) CYP11B2LRRK2PIM1PIM3PIM2
SCHEMBL419618 0.81 FTO (0.38) ALKMAT2AKDM4EUSP2ALDH1A1
SCHEMBL420669 0.79 AAK1 (0.39) CYP11B2CYP11B1LRRK2PIM1PIM3
SCHEMBL420018 0.79 HRH3 (0.39) CYP11B2CYP11B1MAT2ABACE1FFAR4
SCHEMBL420443 0.78 AAK1 (0.38) LRRK2ALKNPM1CLK2DYRK1A
SCHEMBL420025 0.77 CYP3A4 (0.39) CYP11B2CYP11B1LRRK2KDM4EALDH1A1
SCHEMBL422577 0.77 TGFBR1 (0.36) PIM1PIM3MAPT

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 3789/4885LRRK2 202/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 CYP11B2 3139/4885CYP11B1 3789/4885LRRK2 202/4885

“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.