SCHEMBL6004467

SCHEMBL6004467

CCNC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2c2ccnn2-c2ccc(F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
THRB P10828 1/20 0.42
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
PIK3CD O00329 1/20 0.40
POLB P06746 1/20 0.39
ENPP2 Q13822 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
SCHEMBL16827670 0.78 POLB (0.50) TP53THRBLMNAMAPTPOLB
SCHEMBL16827770 0.78 POLB (0.50) TP53THRBLMNAMAPTPOLB
SCHEMBL6004013 0.77 MMP13 (0.42) LMNAMAPTPIK3CDENPP2
SCHEMBL6004607 0.76 ENPP2 (0.38) TP53THRBLMNAMAPTPOLB
SCHEMBL4871002 0.76 ENPP2 (0.39) TP53THRBLMNAMAPTPOLB
SCHEMBL4761315 0.71 NR1H2 (0.46) LMNAMAPTENPP2
SCHEMBL6005068 0.71 ENPP2 (0.38) LMNAMAPTPOLBENPP2
SCHEMBL16845866 0.70 GPR119 (0.52) TP53THRBLMNAMAPTPOLB
SCHEMBL6003951 0.69 NR1H2 (0.47) LMNAMAPTPIK3CDENPP2
SCHEMBL6004473 0.69 NR1H2 (0.36) ENPP2

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 TP53 1429/4885THRB 1088/4885LMNA 4135/4885

“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.