SCHEMBL6004394

SCHEMBL6004394

CC(C)NC(=O)c1csc(-c2oc(CN3CCOCC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.42
PIN1 Q13526 1/20 0.42
HPGDS O60760 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
SCN9A Q15858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL4828522 0.91 CHEK1 (0.40) TLR7SCN9A
SCHEMBL4760698 0.86 ACKR3 (0.48) ENPP2
SCHEMBL4724392 0.85 ALDH1A1 (0.46) ENPP2GAAALDH1A1
SCHEMBL6004876 0.84 TLR7 (0.44) HPGDSTLR7GAALMNASCN9A
SCHEMBL4762022 0.84 TLR7 (0.43) HPGDSTLR7GAALMNASCN9A
SCHEMBL4761789 0.83 TGFBR1 (0.44) ENPP2PIN1HPGDSTLR7TSHR
SCHEMBL6004597 0.82 TLR7 (0.42) HPGDSTLR7LMNASCN9A
SCHEMBL6003997 0.78 HDAC3 (0.40) HPGDSTLR7GAA
SCHEMBL6002763 0.76 PIN1 (0.40) ENPP2PIN1TLR7ALDH1A1
SCHEMBL4826461 0.74 CHEK1 (0.37) TLR7SCN9A

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 ENPP2 266/4885PIN1 598/4885HPGDS 332/4885

“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.