SCHEMBL408219

SCHEMBL408219

COC(=O)c1ccc2nc(C(C)(C)C)cn2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 5/20 0.56
NPC1 O15118 4/20 0.56
KDM4E B2RXH2 4/20 0.56
GLA P06280 1/20 0.56
MCHR1 Q99705 2/20 0.53
MAPT P10636 2/20 0.52
KMT2A Q03164 1/20 0.49
ALDH1A3 P47895 1/20 0.49
MAP3K5 Q99683 8/20 0.47
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CLK1 P49759 2/20 0.41
CLK2 P49760 2/20 0.41
BRD4 O60885 1/20 0.40

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
SCHEMBL4781728 0.83 ALDH1A1 (0.53) RAB9AALDH1A1NPC1KDM4EGLA
SCHEMBL14309621 0.82 MCHR1 (0.47) RAB9AALDH1A1NPC1KDM4EGLA
SCHEMBL10311041 0.82 MCHR1 (0.52) RAB9AALDH1A1NPC1KDM4EGLA
SCHEMBL7274569 0.80 KDM4E (0.56) RAB9AALDH1A1NPC1KDM4EGLA
SCHEMBL5327076 0.79 KDM4E (0.55) RAB9AALDH1A1NPC1KDM4EGLA
SCHEMBL18065871 0.79 RAB9A (0.61) RAB9AALDH1A1NPC1KDM4EGLA
SCHEMBL3301442 0.79 RAB9A (0.55) RAB9AALDH1A1NPC1KDM4EGLA
SCHEMBL2127752 0.77 ALDH1A1 (0.75) RAB9AALDH1A1NPC1KDM4EGLA
SCHEMBL4291819 0.76 MCHR1 (0.50) RAB9AALDH1A1NPC1KDM4EMCHR1
SCHEMBL16194638 0.75 KDM4E (0.52) RAB9AALDH1A1NPC1KDM4EGLA

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
CN-114245796-A Imidazo [1,2-a ] pyridinyl derivatives and their use in the treatment of disease 比奥根MA公司 2022-03-25 CN disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
EP-2044055-A2 AMIDE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-04-08 EP disclosed
WO-2008011131-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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 (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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 RAB9A 2100/4885ALDH1A1 231/4885NPC1 214/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT RAB9A 1525/4885ALDH1A1 272/4885NPC1 142/4885

“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.