SCHEMBL6004209

SCHEMBL6004209

C#CCNC(=O)c1csc(-c2nccn2C2CN(C(=O)OC(C)(C)C)CCC2c2ccc(F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.40
ENPP2 Q13822 2/20 0.38
SCN9A Q15858 1/20 0.36
JAK2 O60674 4/20 0.36
JAK1 P23458 3/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
USP30 Q70CQ3 4/20 0.35
TACR1 P25103 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL6002680 0.88 USP30 (0.40) ACKR3ENPP2SCN9AJAK2JAK1
SCHEMBL6003649 0.85 ENPP2 (0.38) ACKR3ENPP2SCN9AJAK2JAK1
SCHEMBL4828575 0.76 MAPK14 (0.48) ACKR3
SCHEMBL6004463 0.72 ACKR3 (0.36) ACKR3ENPP2USP30TP53
SCHEMBL4899267 0.71 USP30 (0.43) ACKR3USP30
SCHEMBL4889025 0.71 PIK3CD (0.39) ACKR3ENPP2USP30
SCHEMBL6003951 0.70 NR1H2 (0.47) ENPP2USP30
SCHEMBL6004212 0.70 ACKR3 (0.38) ACKR3JAK2JAK3USP30
SCHEMBL6004214 0.70 TACR1 (0.33) ACKR3TACR1
SCHEMBL4832476 0.70 USP30 (0.40) ACKR3ENPP2JAK2JAK1JAK3

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 262/4885ENPP2 266/4885SCN9A 4676/4885

“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.