SCHEMBL419618

SCHEMBL419618

COc1ncc(-c2ccc3nc4n(c3c2)CCN(C2=CC=C2)CC4)cn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
MAT2A P31153 8/20 0.36
DHFR P00374 1/20 0.36
ALOX5AP P20292 1/20 0.33
ALK Q9UM73 1/20 0.32
P2RX3 P56373 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
HDAC8 Q9BY41 1/20 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
SCHEMBL420669 0.83 AAK1 (0.39)
SCHEMBL418980 0.83 MAT2A (0.36) MAT2AKDM4EUSP2ALDH1A1MAPT
SCHEMBL420019 0.81 CYP11B2 (0.38) MAT2AALKKDM4EUSP2ALDH1A1
SCHEMBL420443 0.81 AAK1 (0.38) ALK
SCHEMBL420025 0.79 CYP3A4 (0.39) DHFRKDM4EALDH1A1
SCHEMBL421060 0.78 PIK3CD (0.37) DHFRALDH1A1MAPT
SCHEMBL419641 0.78 HRH4 (0.37) USP2ALDH1A1
SCHEMBL422759 0.78 NOS3 (0.31)
SCHEMBL419617 0.78 MAT2A (0.38) FTOALKBH5MAT2AALOX5APKDM4E
SCHEMBL422577 0.77 TGFBR1 (0.36) DHFRMAPT

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 FTO 3621/4885ALKBH5 4594/4885MAT2A 1292/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 FTO 3621/4885ALKBH5 4594/4885MAT2A 1292/4885

“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.