SCHEMBL6455478

SCHEMBL6455478

CN(C)c1nc(N)nc2c1CCCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
ACHE P22303 2/20 0.48
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
BPTF Q12830 1/20 0.47
ALDH1A1 P00352 4/20 0.46
ADRB2 P07550 1/20 0.46
TUBB3 Q13509 3/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
HRH2 P25021 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
APAF1 O14727 1/20 0.42
NSD2 O96028 1/20 0.42

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
SCHEMBL9105964 0.77 WNT3A (0.40) KDM4EALDH1A1ADRB2TUBB3NOS3
SCHEMBL6456837 0.76 L3MBTL1 (0.50) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL10663924 0.75 KDM4E (1.00) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL3563842 0.74 KDM4E (0.63) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL3126141 0.72 MAPT (0.43) KDM4EACHEMAPK1ALDH1A1TUBB3
SCHEMBL7314262 0.72 KDM4E (0.60) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL9886276 0.71 KDM4E (0.92) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL1617798 0.71 KDM4E (0.59) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL6415610 0.71 KDM4E (0.59) KDM4EACHEMEN1MAPK1KMT2A
Ethylene SCHEMBL8636905 0.71 KDM4E (0.59) KDM4EACHEMEN1MAPK1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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 (1 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 KDM4E 1190/4885ACHE 197/4885MEN1 734/4885

“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.