SCHEMBL4827697

SCHEMBL4827697

CC(C)(C)OC(=O)N1CCC(I)C(c2ccc(F)cc2)C1c1ccno1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.37
GPR119 Q8TDV5 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
POLB P06746 1/20 0.33
NR1I2 O75469 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL6005121 0.81 TACR1 (0.35) TACR1GPR119MEN1KMT2AJAK2
SCHEMBL6004484 0.78 MEN1 (0.35) TACR1GPR119MEN1KMT2AJAK2
SCHEMBL6004030 0.78 TACR1 (0.34) TACR1GPR119JAK2JAK3PTK2
SCHEMBL4814466 0.77 MEN1 (0.34) TACR1MEN1KMT2AJAK2JAK3
SCHEMBL4832492 0.77 TACR1 (0.35) TACR1JAK2JAK3PTK2NR1I2
SCHEMBL4761317 0.77 NR1H2 (0.46) TACR1MEN1KMT2AMAPK1HTT
SCHEMBL4762511 0.77 TACR1 (0.35) TACR1GPR119JAK2JAK3PTK2
SCHEMBL2148828 0.71 RIPK1 (0.48) TACR1MEN1KMT2ARORC
SCHEMBL8154541 0.69 MEN1 (0.43) MEN1KMT2AMAPK1HTT
SCHEMBL22731088 0.68 GPR119 (0.54) GPR119

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
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 TACR1 3601/4885GPR119 1185/4885MEN1 3740/4885

“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.