SCHEMBL4760698

SCHEMBL4760698

CC(C)NC(=O)c1csc(-c2oc(CN3CCN(C(=O)OC(C)(C)C)CC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.48
TBK1 Q9UHD2 10/20 0.39
GRIA1 P42261 1/20 0.37
P2RY12 Q9H244 2/20 0.36
SQOR Q9Y6N5 1/20 0.36
DYRK2 Q92630 1/20 0.36
PIK3CD O00329 1/20 0.36
F2RL1 P55085 1/20 0.36
ENPP2 Q13822 1/20 0.36

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
SCHEMBL6004394 0.86 ENPP2 (0.42) ENPP2
SCHEMBL4828522 0.86 CHEK1 (0.40)
SCHEMBL6003997 0.81 HDAC3 (0.40) ACKR3
SCHEMBL6004876 0.80 TLR7 (0.44)
SCHEMBL4762022 0.79 TLR7 (0.43)
SCHEMBL6004597 0.77 TLR7 (0.42)
SCHEMBL6003993 0.77 TLR7 (0.39)
SCHEMBL4721839 0.76 MAPK11 (0.49) ACKR3ENPP2
SCHEMBL4791362 0.76 ACKR3 (0.41) ACKR3ENPP2
SCHEMBL4915605 0.75 MAPK14 (0.47) ACKR3

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 ACKR3 262/4885TBK1 188/4885GRIA1 2311/4885

“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.