SCHEMBL418980

SCHEMBL418980

COc1cnc(-c2ccc3nc4n(c3c2)CCN(C2=CC=C2)CC4)cn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 4/20 0.36
LRRK2 Q5S007 2/20 0.34
HPGD P15428 2/20 0.32
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
OPRL1 P41146 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
PDE5A O76074 1/20 0.31
KCNH2 Q12809 1/20 0.31
BACE1 P56817 2/20 0.30

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
SCHEMBL420019 0.86 CYP11B2 (0.38) MAT2ALRRK2KDM4EUSP2ALDH1A1
SCHEMBL422574 0.84 HRH4 (0.36) LRRK2KCNH2
SCHEMBL419960 0.83 PIM1 (0.33)
SCHEMBL419618 0.83 FTO (0.38) MAT2AKDM4EUSP2ALDH1A1MAPT
SCHEMBL421060 0.82 PIK3CD (0.37) LRRK2ALDH1A1MAPT
SCHEMBL420669 0.79 AAK1 (0.39) LRRK2
SCHEMBL422577 0.79 TGFBR1 (0.36) MAPT
SCHEMBL418979 0.79 OGFRL1 (0.41) MAT2AHPGDKDM4EALDH1A1MAPT
SCHEMBL421120 0.76 PIM2 (0.41)
SCHEMBL420443 0.76 AAK1 (0.38) LRRK2

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 4 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
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US 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 MAT2A 1292/4885LRRK2 202/4885HPGD 403/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAT2A 1292/4885LRRK2 202/4885HPGD 403/4885

“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.