SCHEMBL4868017

SCHEMBL4868017

CC(C)NC(=O)c1nc(CN(C)C)sc1-c1cnc(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.42
GABRA5 P31644 2/20 0.34
HCRTR1 O43613 2/20 0.34
GRIN2B Q13224 1/20 0.34
DYRK1A Q13627 1/20 0.34
ERCC1 P07992 1/20 0.34
FEN1 P39748 1/20 0.34
ERCC4 Q92889 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
ULK1 O75385 4/20 0.33
MAOA P21397 1/20 0.33
PDPK1 O15530 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL4761319 0.84 DYRK1A (0.38) ACVR1GABRA5DYRK1AULK1MAOA
SCHEMBL4762447 0.80 ULK1 (0.35) ACVR1GABRA5GRIN2BDYRK1AULK1
SCHEMBL4877473 0.72 HDAC3 (0.40) GABRA5HCRTR1GRIN2BDYRK1AULK1
SCHEMBL6002812 0.66 ULK1 (0.38) HCRTR1ULK1
SCHEMBL4868024 0.65 TAAR1 (0.36) HCRTR1
SCHEMBL4762643 0.65 TSHR (0.40) HCRTR1ERCC1FEN1ERCC4ULK1
SCHEMBL12728713 0.62 PTGS2 (0.40)
SCHEMBL4868034 0.62 TGFBR1 (0.49)
SCHEMBL7143623 0.60 BACE1 (0.46) BACE1
SCHEMBL6885895 0.60 PTPN1 (0.64) BACE1

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 ACVR1 485/4885GABRA5 4796/4885HCRTR1 2920/4885

“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.