SCHEMBL6004601

SCHEMBL6004601

COC(=O)N1CCCCC1c1[nH]nc(-c2ccc(F)cc2)c1-c1nc(C(C)C)c(C(N)=O)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 3/20 0.36
MAPK14 Q16539 3/20 0.36
KCNH2 Q12809 1/20 0.36
AADAT Q8N5Z0 1/20 0.35
CYP3A4 P08684 2/20 0.35
CPT1A P50416 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
GRM5 P41594 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
BTK Q06187 4/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
EGFR P00533 1/20 0.32
BMX P51813 1/20 0.32
ITK Q08881 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C9 P11712 1/20 0.32
HCRTR1 O43613 2/20 0.32
IKBKB O14920 1/20 0.32

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
SCHEMBL6004220 0.80 MAPK11 (0.47) MAPK11MAPK14KCNH2MAPK1
SCHEMBL6004618 0.74 CPT1A (0.39) MAPK11MAPK14KCNH2CYP3A4CPT1A
SCHEMBL4871021 0.73 CPT1A (0.39) MAPK11MAPK14KCNH2CPT1ATRPV1
SCHEMBL6004902 0.71 CPT1A (0.43) MAPK11MAPK14KCNH2CPT1ATRPV1
SCHEMBL6004476 0.70 ACKR3 (0.41) MAPK11MAPK14KCNH2CPT1ATRPV1
SCHEMBL6004177 0.69 NR1H2 (0.44) MAPK11MAPK14KCNH2CPT1AMAPK1
SCHEMBL6004023 0.67 CPT1A (0.45) AADATCPT1A
SCHEMBL6004594 0.63 AADAT (0.30) AADAT
SCHEMBL4721839 0.62 MAPK11 (0.49) MAPK11MAPK14KCNH2
SCHEMBL4827940 0.61 MAPK11 (0.61) MAPK11MAPK14KCNH2MAPK1

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 MAPK11 45/4885MAPK14 26/4885KCNH2 4599/4885

“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.