SCHEMBL417644

SCHEMBL417644

N#Cc1ccc2c(c1)nc1n2CCN(C2=CC=C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MMP14 P50281 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
CYP11B2 P19099 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TP53 P04637 2/20 0.31
CYP11B1 P15538 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL422755 0.91 HRH4 (0.39) GRM2MMP14ADAMTS5MEN1KMT2A
SCHEMBL419888 0.91 HRH3 (0.36) GRM2CYP11B2HRH3CYP11B1
SCHEMBL417602 0.84 CYP11B2 (0.39) GRM2MEN1KMT2AMAPK1RAB9A
SCHEMBL419641 0.84 HRH4 (0.37) GRM2ALDH1A1MEN1KMT2AHRH3
SCHEMBL421682 0.84 CYP3A4 (0.40) GRM2KDM4EHRH3TP53L3MBTL1
SCHEMBL422695 0.84 GRM2 (0.39) GRM2KDM4EALDH1A1GAAMEN1
SCHEMBL420956 0.82 GRM2 (0.35) GRM2KDM4EMEN1KMT2ATP53
SCHEMBL420460 0.81 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL420411 0.81 RAB9A (0.40) ALDH1A1MEN1KMT2AMAPK1RAB9A
SCHEMBL422621 0.81 PIK3CA (0.38) GRM2ALDH1A1MEN1KMT2AMAPK1

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 GRM2 65/4885KDM4E 1889/4885ALDH1A1 2598/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 GRM2 65/4885KDM4E 1889/4885ALDH1A1 2598/4885

“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.