SCHEMBL6002824

SCHEMBL6002824

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.45
CHEK1 O14757 7/20 0.38
TLR7 Q9NYK1 1/20 0.38
SCN9A Q15858 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
ALK Q9UM73 1/20 0.37
ULK1 O75385 1/20 0.37
TACR2 P21452 1/20 0.36
TACR3 P29371 1/20 0.36
OPRM1 P35372 1/20 0.36
GRM2 Q14416 1/20 0.36
KDR P35968 1/20 0.36
PIN1 Q13526 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL4761789 0.91 TGFBR1 (0.44) TGFBR1TLR7ULK1PIN1MAPK14
SCHEMBL4720079 0.87 TGFBR1 (0.46) TGFBR1CHEK1TLR7SCN9AMAPKAPK2
SCHEMBL4877485 0.85 TGFBR1 (0.51) TGFBR1TLR7KDRGSK3AGSK3B
SCHEMBL4828522 0.83 CHEK1 (0.40) CHEK1TLR7SCN9AMAPKAPK2ALK
SCHEMBL4868034 0.82 TGFBR1 (0.49) TGFBR1TLR7KDRMAPK14
SCHEMBL4826461 0.82 CHEK1 (0.37) CHEK1TLR7SCN9AMAPKAPK2ALK
SCHEMBL4762453 0.81 TGFBR1 (0.57) TGFBR1TLR7KDRMAPK14
SCHEMBL6004210 0.80 TGFBR1 (0.46) TGFBR1TLR7SCN9AGSK3BMAPK14
SCHEMBL4761324 0.79 TLR7 (0.45) TGFBR1TLR7SCN9AMAPK14
SCHEMBL4761790 0.78 TGFBR1 (0.49) TGFBR1ULK1

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 TGFBR1 572/4885CHEK1 564/4885TLR7 495/4885

“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.