SCHEMBL6004622

SCHEMBL6004622

CC(C)NC(=O)c1csc(-c2c(-c3ccc(F)cc3)noc2C2CCN(C(=O)CO)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.44
IRAK4 Q9NWZ3 2/20 0.41
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
ACKR3 P25106 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRA5 P31644 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CSNK1D P48730 3/20 0.36
MAPK14 Q16539 2/20 0.36
PPARG P37231 1/20 0.36
CSNK1E P49674 1/20 0.36

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
SCHEMBL4761826 0.92 MAPK14 (0.42) PIN1IRAK4ACKR3TLR7GAA
SCHEMBL4791362 0.88 ACKR3 (0.41) ACKR3
SCHEMBL6004627 0.88 ACKR3 (0.40) PIN1IRAK4PREPFAPACKR3
Isopropylamine SCHEMBL4791416 0.88 LMNA (0.39) PIN1IRAK4GAAHTTSMN1; SMN2
SCHEMBL4720965 0.86 PIM3 (0.39) ACKR3TLR7HTTSMN1; SMN2GABRA5
SCHEMBL4761930 0.85 MAPK11 (0.51) PIN1IRAK4PREPFAPACKR3
SCHEMBL6004578 0.80 MAPK11 (0.54) PIN1IRAK4TLR7CSNK1DMAPK14
SCHEMBL6004451 0.79 CSNK1D (0.48) PIN1IRAK4CSNK1DMAPK14CSNK1E
SCHEMBL4832486 0.79 CPT1A (0.38) PIN1IRAK4PREPFAPACKR3
SCHEMBL4762959 0.78 GABRA5 (0.48) TLR7GAAHTTSMN1; SMN2GABRA5

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 PIN1 598/4885IRAK4 81/4885PREP 1122/4885

“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.