SCHEMBL1179129

SCHEMBL1179129

Cc1cc(C(=O)N(N)C(=O)OC(C)(C)C)cc(C)n1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.31
CYP3A4 P08684 1/20 0.31
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SLC7A5 Q01650 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNA1B Q00975 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
SCHEMBL25436784 0.79 AAK1 (0.32) NFKB1NFKB2RELA
SCHEMBL4514786 0.76 ALDH1A1 (0.43) SLC7A5
SCHEMBL1425511 0.74 CA12 (0.40) ACACBACACAMAPTCYP3A4SLC7A5
SCHEMBL5737167 0.74 MAPT (0.42) MAPT
SCHEMBL10329954 0.73 SOS1 (0.38) MAPTHTTCYP3A4NFKB1NFKB2
SCHEMBL21871193 0.72 PAX8 (0.45) MAPTHTTCYP3A4NFKB1NFKB2
SCHEMBL29277587 0.72 ALDH1A1 (0.46) HTTCYP3A4LMNA
SCHEMBL1401073 0.72 PARP1 (0.46) MAPTHTTLMNANFKB1NFKB2
SCHEMBL28191864 0.72 PDE2A (0.42)
SCHEMBL1706932 0.71 HDAC6 (0.38) NFKB1NFKB2RELA

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
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-24 US disclosed
EP-2262800-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-22 EP disclosed
WO-2009109907-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 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-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES TYMP, DPYD, ENTPD5 ACACB 3055/4885ACACA 3774/4885MAPT 3786/4885

“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.