SCHEMBL6004480

SCHEMBL6004480

CCOC(=O)c1ccn(-c2c(-c3ccc(F)cc3)noc2C2CCCCN2C(=O)OC(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TP53 P04637 3/20 0.35
MAPT P10636 2/20 0.35
CPT1A P50416 2/20 0.35
LMNA P02545 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GRM5 P41594 2/20 0.34
TSHR P16473 2/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
CPT2 P23786 1/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6004025 0.87 GRM5 (0.34) MEN1KMT2AALDH1A1GRM5
SCHEMBL4721165 0.86 ALDH1A1 (0.42) MEN1KMT2ATP53LMNAALDH1A1
SCHEMBL4761316 0.82 NR1H2 (0.44) MEN1KMT2ANR1H2NR1H3TP53
SCHEMBL4814451 0.81 NR1H2 (0.37) MEN1KMT2ANR1H2NR1H3TP53
SCHEMBL4827696 0.78 GRM5 (0.42) LMNAALDH1A1GRM5TSHR
SCHEMBL6005117 0.75 ALDH1A1 (0.40) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL4721539 0.74 JAK2 (0.42) TP53MAPTLMNAALDH1A1
SCHEMBL6004177 0.72 NR1H2 (0.44) MEN1KMT2ANR1H2NR1H3MAPT
SCHEMBL4832486 0.71 CPT1A (0.38) CPT1AGRM5
SCHEMBL4760676 0.70 ENPP2 (0.42) MEN1KMT2ANR1H2NR1H3TP53

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 MEN1 3740/4885KMT2A 3283/4885NR1H2 744/4885

“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.