SCHEMBL4291819

SCHEMBL4291819

CC(C)(C)c1cn2cc(C(=O)NCCN)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.50
MAP3K5 Q99683 6/20 0.44
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MLLT1 Q03111 1/20 0.41
METTL3 Q86U44 1/20 0.40
TERT O14746 2/20 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
SCHEMBL10311041 0.78 MCHR1 (0.52) MCHR1MAP3K5MEN1KMT2ANPC1
SCHEMBL4781728 0.77 ALDH1A1 (0.53) MCHR1MAP3K5MEN1KMT2ANPC1
SCHEMBL408219 0.76 RAB9A (0.56) MCHR1MAP3K5KMT2ANPC1RAB9A
SCHEMBL4289416 0.74 DGAT1 (0.62) MCHR1
SCHEMBL12330690 0.74 EGLN1 (0.56) MAP3K5CYP1A2MAOBKDM4EALDH1A1
SCHEMBL12139852 0.72 RAB9A (0.66) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL1579912 0.71 LMNA (0.68) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL16220652 0.71 MMP13 (0.49) MCHR1MEN1KMT2ANPC1RAB9A
SCHEMBL22457376 0.71 MCHR1 (0.73) MCHR1MAP3K5NPC1RAB9A
SCHEMBL14309621 0.70 MCHR1 (0.47) MCHR1MAP3K5MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 MCHR1 4610/4885MAP3K5 3203/4885CYP1A2 1261/4885

“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.