SCHEMBL4828522

SCHEMBL4828522

CC(C)NC(=O)c1csc(-c2oc(CN3CCNCC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.40
TLR7 Q9NYK1 1/20 0.38
SCN9A Q15858 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
ALK Q9UM73 1/20 0.37
PIM1 P11309 2/20 0.37
TACR2 P21452 1/20 0.36
TACR3 P29371 1/20 0.36
OPRM1 P35372 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
SCHEMBL6004394 0.91 ENPP2 (0.42) TLR7SCN9A
SCHEMBL4760698 0.86 ACKR3 (0.48)
SCHEMBL6004876 0.84 TLR7 (0.44) TLR7SCN9A
SCHEMBL4826461 0.83 CHEK1 (0.37) CHEK1TLR7SCN9AMAPKAPK2ALK
SCHEMBL6002824 0.83 TGFBR1 (0.45) CHEK1TLR7SCN9AMAPKAPK2ALK
SCHEMBL4762022 0.83 TLR7 (0.43) TLR7SCN9A
SCHEMBL6004597 0.81 TLR7 (0.42) TLR7SCN9A
SCHEMBL6003997 0.79 HDAC3 (0.40) TLR7
SCHEMBL4724392 0.76 ALDH1A1 (0.46)
SCHEMBL4761789 0.76 TGFBR1 (0.44) TLR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 WO 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 CHEK1 564/4885TLR7 495/4885SCN9A 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.