SCHEMBL6005121

SCHEMBL6005121

CCCC[Sn](CCCC)(CCCC)C1CCN(C(=O)OC(C)(C)C)C(c2ccno2)C1c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
DPP4 P27487 1/20 0.32
POLB P06746 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
PTK2 Q05397 1/20 0.31
NQO1 P15559 1/20 0.31
THRB P10828 1/20 0.31
TP53 P04637 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
SCHEMBL4827697 0.81 TACR1 (0.37) TACR1MEN1KMT2AGPR119MAPK1
SCHEMBL6004484 0.75 MEN1 (0.35) TACR1MEN1KMT2AALDH1A1GPR119
SCHEMBL4761317 0.74 NR1H2 (0.46) TACR1MEN1KMT2AALDH1A1MAPK1
SCHEMBL4814466 0.74 MEN1 (0.34) TACR1MEN1KMT2AMAPK1HTT
SCHEMBL4762511 0.73 TACR1 (0.35) TACR1GPR119JAK2JAK3PTK2
SCHEMBL6004030 0.71 TACR1 (0.34) TACR1ALDH1A1GPR119JAK2JAK3
SCHEMBL4832492 0.71 TACR1 (0.35) TACR1JAK2JAK3PTK2
SCHEMBL6005113 0.67 TACR3 (0.39) TACR1MEN1KMT2AGPR119DPP4
SCHEMBL2148828 0.66 RIPK1 (0.48) TACR1MEN1KMT2A
SCHEMBL13200462 0.64 TACR1 (0.43) TACR1MEN1KMT2AMAPK1HTT

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 TACR1 3601/4885MEN1 3740/4885KMT2A 3283/4885

“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.