SCHEMBL6004468

SCHEMBL6004468

C#CCNC(=O)c1csc(C(c2ncc[nH]2)C2CN(C(=O)OC(C)(C)C)CCN2c2ccc(F)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.35
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
TRPV3 Q8NET8 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
USP30 Q70CQ3 2/20 0.33
TP53 P04637 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
ENPP2 Q13822 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL6004463 0.75 ACKR3 (0.36) ACKR3GPR119USP30TP53ENPP2
SCHEMBL6004471 0.73 NR1H2 (0.37) ACKR3
SCHEMBL6004209 0.68 ACKR3 (0.40) ACKR3USP30TP53ENPP2JAK2
SCHEMBL4791025 0.67 NR1H2 (0.46) BACE1BACE2USP30ENPP2
SCHEMBL4763333 0.65 ACKR3 (0.49) ACKR3ENPP2
SCHEMBL4828575 0.65 MAPK14 (0.48) ACKR3
SCHEMBL6003976 0.64 ACKR3 (0.39) ACKR3TRPV3GPR119USP30TP53
SCHEMBL28479279 0.63 GPR119 (0.43) GPR119USP30TP53
SCHEMBL15858050 0.62 GPR119 (0.48) GPR119
SCHEMBL21340083 0.62 HDAC1 (0.46) GPR119

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 262/4885BACE1 1540/4885BACE2 1809/4885

“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.