SCHEMBL6004133

SCHEMBL6004133

CC(C)(C)OC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2nc(C(=O)NC3CCCC3)cs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.46
HDAC4 P56524 2/20 0.43
TGFBR1 P36897 1/20 0.43
ACKR3 P25106 2/20 0.42
CSNK1D P48730 7/20 0.42
CSNK1E P49674 7/20 0.42
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
USP30 Q70CQ3 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
GRIA1 P42261 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39

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
SCHEMBL4915605 0.91 MAPK14 (0.47) MAPK14TGFBR1ACKR3CSNK1DCSNK1E
SCHEMBL4790528 0.88 MAPK14 (0.50) MAPK14TGFBR1CSNK1DCSNK1EGRIA1
SCHEMBL4761883 0.87 MAPK14 (0.47) MAPK14TGFBR1ACKR3CSNK1DCSNK1E
SCHEMBL4899273 0.87 ACKR3 (0.40) MAPK14HDAC4TGFBR1ACKR3USP30
SCHEMBL4828575 0.87 MAPK14 (0.48) MAPK14TGFBR1ACKR3CSNK1DCSNK1E
SCHEMBL4723030 0.85 MAPK14 (0.53) MAPK14CSNK1DCSNK1E
SCHEMBL6004413 0.85 MAPK14 (0.56) MAPK14TGFBR1CSNK1DCSNK1E
SCHEMBL4816024 0.85 MAPK14 (0.47) MAPK14TGFBR1CSNK1DCSNK1EGRIA1
SCHEMBL6004538 0.84 MAPK14 (0.52) MAPK14CSNK1DCSNK1E
SCHEMBL6004854 0.80 MAPK14 (0.46) MAPK14CSNK1DCSNK1E

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 MAPK14 26/4885HDAC4 862/4885TGFBR1 572/4885

“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.