SCHEMBL6004030

SCHEMBL6004030

CC(C)NC(=O)c1ccn(C2CCN(C(=O)OC(C)(C)C)C(c3ccno3)C2c2ccc(F)cc2)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.34
JAK2 O60674 5/20 0.33
JAK3 P52333 2/20 0.33
PTK2 Q05397 2/20 0.33
JAK1 P23458 3/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
SCHEMBL6004484 0.86 MEN1 (0.35) TACR1JAK2JAK3PTK2JAK1
SCHEMBL4762511 0.83 TACR1 (0.35) TACR1JAK2JAK3PTK2GPR119
SCHEMBL4832492 0.83 TACR1 (0.35) TACR1JAK2JAK3PTK2
SCHEMBL4827697 0.78 TACR1 (0.37) TACR1JAK2JAK3PTK2GPR119
SCHEMBL6005121 0.71 TACR1 (0.35) TACR1JAK2JAK3PTK2ALDH1A1
SCHEMBL4814466 0.71 MEN1 (0.34) TACR1JAK2JAK3PTK2
SCHEMBL4761317 0.69 NR1H2 (0.46) TACR1ALDH1A1LMNA
SCHEMBL6004024 0.68 TACR1 (0.37) TACR1JAK2JAK3PTK2JAK1
SCHEMBL6004025 0.66 GRM5 (0.34) JAK2JAK3PTK2ALDH1A1
SCHEMBL4832476 0.65 USP30 (0.40) TACR1JAK2JAK3PTK2JAK1

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 TACR1 3601/4885JAK2 122/4885JAK3 80/4885

“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.