SCHEMBL6004463

SCHEMBL6004463

C#CCNC(=O)c1csc(-n2ccnc2CC2CN(C(=O)OC(C)(C)C)CCN2c2ccc(F)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.36
EGFR P00533 1/20 0.34
ENPP2 Q13822 1/20 0.34
GRIA1 P42261 1/20 0.34
DGAT2 Q96PD7 2/20 0.34
USP30 Q70CQ3 2/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAMPT P43490 1/20 0.33
ALK Q9UM73 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL6004468 0.75 ACKR3 (0.35) ACKR3ENPP2USP30TP53GPR119
SCHEMBL6004209 0.72 ACKR3 (0.40) ACKR3ENPP2USP30TP53
SCHEMBL6004471 0.72 NR1H2 (0.37) ACKR3NAMPT
SCHEMBL6003976 0.69 ACKR3 (0.39) ACKR3EGFRENPP2USP30TP53
SCHEMBL21360346 0.68 GRM5 (0.42) TP53MEN1MAPTKMT2AGPR119
SCHEMBL28479279 0.67 GPR119 (0.43) USP30TP53MEN1MAPTKMT2A
SCHEMBL4828575 0.66 MAPK14 (0.48) ACKR3
SCHEMBL779402 0.65 GPR119 (0.41) ACKR3USP30GPR119
SCHEMBL4791021 0.65 NR1H2 (0.51) ENPP2GRIA1MEN1MAPTKMT2A
SCHEMBL4763333 0.64 ACKR3 (0.49) ACKR3ENPP2GRIA1

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 ACKR3 262/4885EGFR 1265/4885ENPP2 266/4885

“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.