SCHEMBL3530997

SCHEMBL3530997

CC(C)COC(=O)N1CCN(c2cc(Cl)ncn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.43
SMO Q99835 2/20 0.43
LRRK2 Q5S007 3/20 0.42
RAB9A P51151 1/20 0.42
OGA O60502 1/20 0.42
RET P07949 1/20 0.41
HRH1 P35367 2/20 0.41
SLC6A15 Q9H2J7 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDE P14735 1/20 0.39
HRH2 P25021 1/20 0.38

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
SCHEMBL391564 0.83 SMO (0.43) SMOLRRK2RAB9AMAPTHTT
SCHEMBL3558471 0.80 MAPT (0.51) KITSMORAB9AHRH1SLC6A15
SCHEMBL1877788 0.79 PANK3 (0.58) KITHTTMEN1KMT2ASMN1; SMN2
SCHEMBL3532352 0.79 ITGB2 (0.47) SMOLRRK2RETHRH1SLC6A15
SCHEMBL622957 0.79 GPR119 (0.56) KITRETMAPTMEN1KMT2A
SCHEMBL3532895 0.78 KMT2A (0.45) KITSMORAB9ARETMAPT
SCHEMBL12991318 0.77 LRRK2 (0.49) SMOLRRK2RETMAPTMAPK1
SCHEMBL14276922 0.77 SMO (0.50) SMOLRRK2OGAMEN1KMT2A
SCHEMBL3531390 0.77 TRPV1 (0.53) KITSMOOGAHRH1SLC6A15
SCHEMBL12991293 0.76 ITGB2 (0.51) SMOLRRK2RETITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858786-B2 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCOROPATED (US) 2010-12-28 US disclosed
US-7858786-B2 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCOROPATED (US) 2010-12-28 US disclosed
US-7858786-B2 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCOROPATED (US) 2010-12-28 US disclosed
EP-1877385-A1 PYRIMIDINES AND PYRAZINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2008-01-16 EP disclosed
EP-1858868-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
US-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-04-26 US disclosed
US-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-04-26 US disclosed
US-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-04-26 US disclosed
WO-2006119451-A1 PYRIMIDINES AND PYRAZINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-09 WO disclosed
WO-2006094840-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-09-14 WO 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-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels KCNJ1, KCNJ2, KCNJ11 KIT 3315/4885SMO 904/4885LRRK2 2494/4885

“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.