SCHEMBL6004454

SCHEMBL6004454

CCCNC(=O)c1csc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C(=O)CO)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 12/20 0.47
CSNK1D P48730 11/20 0.47
MAPK14 Q16539 5/20 0.46
IRAK4 Q9NWZ3 1/20 0.43
ACKR3 P25106 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
PREP P48147 1/20 0.40
FAP Q12884 1/20 0.40

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
SCHEMBL6002781 0.90 CSNK1E (0.47) CSNK1ECSNK1DMAPK14IRAK4MAPK13
SCHEMBL6004043 0.90 CSNK1E (0.50) CSNK1ECSNK1DMAPK14
SCHEMBL6004451 0.88 CSNK1D (0.48) CSNK1ECSNK1DMAPK14IRAK4MAPK13
SCHEMBL4719200 0.87 MAPK14 (0.52) CSNK1ECSNK1DMAPK14MAPK13MAPK12
Isopropylamine SCHEMBL4791212 0.84 MAPK14 (0.47) CSNK1ECSNK1DMAPK14MAPK13MAPK12
SCHEMBL4791217 0.81 MAPK14 (0.46) CSNK1ECSNK1DMAPK14MAPK13MAPK12
SCHEMBL4761883 0.80 MAPK14 (0.47) CSNK1ECSNK1DMAPK14ACKR3
SCHEMBL6004627 0.80 ACKR3 (0.40) CSNK1ECSNK1DIRAK4ACKR3PREP
SCHEMBL4721256 0.80 TLR7 (0.46) CSNK1ECSNK1DMAPK14ACKR3MAPK13
SCHEMBL6004854 0.79 MAPK14 (0.46) CSNK1ECSNK1DMAPK14MAPK13MAPK12

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 CSNK1E 1579/4885CSNK1D 1696/4885MAPK14 26/4885

“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.