SCHEMBL421001

SCHEMBL421001

CC(=O)Nc1ccc(-c2ccc3nc4n(c3c2)CCN(c2cnc[nH]2)CC4)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.42
CYP17A1 P05093 10/20 0.39
CYP3A4 P08684 4/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
BRAF P15056 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
WDR5 P61964 1/20 0.37
MAPK10 P53779 1/20 0.37
CHEK1 O14757 1/20 0.35
CLK1 P49759 1/20 0.35

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
SCHEMBL419878 0.80 ASIC3 (0.38) ALK
SCHEMBL419886 0.80 HRH4 (0.35) ALKCHEK1
SCHEMBL421669 0.78 CSNK1D (0.35) CYP17A1NPC1CCNCCDK8CLK1
SCHEMBL7886493 0.76 MAPT (0.43) CYP17A1CYP3A4MAPTPOLBGFER
SCHEMBL7886757 0.76 MAPT (0.58) ALKCYP3A4MAPTPOLBGFER
SCHEMBL422446 0.74 MAPT (0.52) ALKCYP3A4MAPTPOLBGFER
SCHEMBL419043 0.74 MAPT (0.46) ALKMAPTPOLBGFERBRAF
SCHEMBL7886078 0.68 MAPT (0.66) CYP3A4MAPTPOLBGFERKDM4E
SCHEMBL421118 0.67 ALDH1A1 (0.52) CYP3A4MAPTPOLBGFERKDM4E
SCHEMBL7886308 0.67 MAPT (0.59) CYP3A4MAPTPOLBGFERKDM4E

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 ALK 3398/4885CYP17A1 4363/4885CYP3A4 3530/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 ALK 3398/4885CYP17A1 4363/4885CYP3A4 3530/4885

“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.