SCHEMBL6002812

SCHEMBL6002812

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.38
ALK Q9UM73 1/20 0.37
HCRTR1 O43613 15/20 0.37
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
SCN9A Q15858 1/20 0.36
HCRTR2 O43614 3/20 0.36
EIF4E P06730 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 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
SCHEMBL4762643 0.91 TSHR (0.40) ULK1HCRTR1TBK1HCRTR2
SCHEMBL6004400 0.88 ULK1 (0.39) ULK1HCRTR1IKBKETBK1SCN9A
SCHEMBL4877473 0.86 HDAC3 (0.40) ULK1HCRTR1HCRTR2
SCHEMBL6004201 0.81 HDAC3 (0.38) ULK1HCRTR1HCRTR2
SCHEMBL6002824 0.71 TGFBR1 (0.45) ULK1ALKSCN9A
SCHEMBL6004445 0.71 TRPM8 (0.48)
SCHEMBL4761319 0.67 DYRK1A (0.38) ULK1
SCHEMBL6002744 0.67 TRPM8 (0.47) HCRTR1HCRTR2
SCHEMBL4828522 0.66 CHEK1 (0.40) ALKSCN9A
SCHEMBL4868017 0.66 ACVR1 (0.42) ULK1HCRTR1

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 290/4885ALK 804/4885HCRTR1 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.