SCHEMBL4763333

SCHEMBL4763333

C#CCNC(=O)c1csc(-c2[nH]c(CN3CCN(C(=O)OC(C)(C)C)CC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.49
TGFBR1 P36897 2/20 0.43
TBK1 Q9UHD2 9/20 0.38
GRIA1 P42261 1/20 0.37
SQOR Q9Y6N5 1/20 0.36
ENPP2 Q13822 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
MAPK14 Q16539 1/20 0.35
DYRK2 Q92630 1/20 0.35
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34

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
SCHEMBL4720079 0.86 TGFBR1 (0.46) TGFBR1GSK3AGSK3BMAPK14PREP
SCHEMBL4762611 0.85 TGFBR1 (0.45) ACKR3TGFBR1TBK1GRIA1SQOR
SCHEMBL4828575 0.77 MAPK14 (0.48) ACKR3TGFBR1MAPK14
SCHEMBL4762808 0.77 TGFBR1 (0.48) TGFBR1GSK3BMAPK14PREPFAP
SCHEMBL4761790 0.76 TGFBR1 (0.49) TGFBR1ENPP2
SCHEMBL6002824 0.75 TGFBR1 (0.45) TGFBR1GSK3AGSK3BMAPK14
SCHEMBL4761789 0.75 TGFBR1 (0.44) TGFBR1ENPP2MAPK14
SCHEMBL4760698 0.73 ACKR3 (0.48) ACKR3TBK1GRIA1SQORENPP2
SCHEMBL4722585 0.72 MAPK11 (0.48) ACKR3ENPP2MAPK14
SCHEMBL13719563 0.72 ACKR3 (0.58) ACKR3TBK1ENPP2

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 262/4885TGFBR1 572/4885TBK1 188/4885

“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.