SCHEMBL6004400

SCHEMBL6004400

C#CCNC(=O)c1nc(-c2cnc(CN3CCNCC3)[nH]2)sc1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.39
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ACVR1 Q04771 1/20 0.37
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
HCRTR1 O43613 10/20 0.34
HCRTR2 O43614 1/20 0.33
SCN9A Q15858 1/20 0.33
GRM2 Q14416 1/20 0.33
EIF4E P06730 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
ACHE P22303 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
SCHEMBL6002812 0.88 ULK1 (0.38) ULK1IKBKETBK1HCRTR1HCRTR2
SCHEMBL4762643 0.79 TSHR (0.40) ULK1TBK1HCRTR1HCRTR2
SCHEMBL4877473 0.73 HDAC3 (0.40) ULK1HDAC3HDAC1HDAC6HCRTR1
SCHEMBL4720079 0.71 TGFBR1 (0.46) ULK1SCN9AGRM2
SCHEMBL6004201 0.68 HDAC3 (0.38) ULK1HDAC3HDAC1HDAC6HCRTR1
SCHEMBL6004445 0.67 TRPM8 (0.48)
SCHEMBL6002744 0.63 TRPM8 (0.47) HCRTR1HCRTR2
SCHEMBL6004403 0.63 MAPK14 (0.34) ULK1ACVR1HCRTR1HCRTR2SCN9A
SCHEMBL6002817 0.62 MAPK14 (0.35) ULK1ACVR1IKBKETBK1HCRTR1
SCHEMBL6002824 0.61 TGFBR1 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US 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 ULK1 290/4885HDAC3 1401/4885HDAC1 646/4885

“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.