SCHEMBL6004484

SCHEMBL6004484

CCOC(=O)c1ccn(C2CCN(C(=O)OC(C)(C)C)C(c3ccno3)C2c2ccc(F)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
TACR1 P25103 3/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
HTR7 P34969 1/20 0.32
JAK2 O60674 2/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL6004030 0.86 TACR1 (0.34) TACR1JAK2JAK3PTK2ALDH1A1
SCHEMBL4814466 0.83 MEN1 (0.34) MEN1KMT2AMAPK1HTTTACR1
SCHEMBL4761317 0.81 NR1H2 (0.46) MEN1KMT2AMAPK1HTTTACR1
SCHEMBL4827697 0.78 TACR1 (0.37) MEN1KMT2AMAPK1HTTTACR1
SCHEMBL6005121 0.75 TACR1 (0.35) MEN1KMT2AMAPK1HTTTACR1
SCHEMBL6004475 0.72 USP30 (0.42) JAK2ALDH1A1GPR119JAK1
SCHEMBL4762511 0.71 TACR1 (0.35) TACR1JAK2JAK3PTK2GPR119
SCHEMBL4832492 0.71 TACR1 (0.35) TACR1NR1H2NR1H3JAK2JAK3
SCHEMBL14635882 0.68 GPR119 (0.48) MEN1KMT2AALDH1A1LMNAGPR119
SCHEMBL27161150 0.67 GPR119 (0.41) MEN1KMT2ANR1H2NR1H3JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 MEN1 3740/4885KMT2A 3283/4885MAPK1 1/4885

“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.