SCHEMBL4720079

SCHEMBL4720079

C#CCNC(=O)c1csc(-c2[nH]c(CN3CCNCC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.46
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
ULK1 O75385 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
GSK3B P49841 2/20 0.37
MAPK14 Q16539 2/20 0.37
GSK3A P49840 1/20 0.37
CHEK1 O14757 8/20 0.36
SCN9A Q15858 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL6002824 0.87 TGFBR1 (0.45) TGFBR1ULK1TLR7MAPKAPK2GSK3B
SCHEMBL4763333 0.86 ACKR3 (0.49) TGFBR1PREPFAPGSK3BMAPK14
SCHEMBL4762808 0.81 TGFBR1 (0.48) TGFBR1PREPFAPTLR7GSK3B
SCHEMBL4761790 0.80 TGFBR1 (0.49) TGFBR1ULK1
SCHEMBL4761789 0.78 TGFBR1 (0.44) TGFBR1ULK1TLR7MAPK14
SCHEMBL4830402 0.74 MAPK11 (0.50) TGFBR1PREPFAPTLR7MAPK14
SCHEMBL4760720 0.74 MAPK14 (0.51) MAPK14GSK3A
SCHEMBL6004529 0.73 TLR7 (0.43) TGFBR1PREPFAPTLR7
SCHEMBL6004397 0.72 TLR7 (0.45) TGFBR1PREPFAPTLR7MAPK14
SCHEMBL6004400 0.71 ULK1 (0.39) ULK1SCN9AGRM2

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 TGFBR1 572/4885PREP 1122/4885FAP 1522/4885

“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.