SCHEMBL4826461

SCHEMBL4826461

CC(C)NC(=O)c1csc(-c2c(-c3ccc(F)cc3)noc2CN2CCNCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.37
SCN9A Q15858 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CSNK1D P48730 2/20 0.37
MAPK14 Q16539 2/20 0.37
MAPKAPK2 P49137 1/20 0.37
GABRA5 P31644 3/20 0.37
ALK Q9UM73 1/20 0.37
PIM1 P11309 2/20 0.36
TACR2 P21452 1/20 0.36
TACR3 P29371 1/20 0.36
OPRM1 P35372 1/20 0.36
GRM2 Q14416 1/20 0.35

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
SCHEMBL6002763 0.93 PIN1 (0.40) TLR7CSNK1DMAPK14GABRA5
SCHEMBL4722400 0.83 TLR7 (0.42) TLR7CSNK1DMAPK14GABRA5
SCHEMBL4828522 0.83 CHEK1 (0.40) CHEK1SCN9ATLR7MAPKAPK2ALK
SCHEMBL6004885 0.83 TLR7 (0.41) SCN9ATLR7CSNK1DMAPK14GABRA5
SCHEMBL6002824 0.82 TGFBR1 (0.45) CHEK1SCN9ATLR7MAPK14MAPKAPK2
SCHEMBL6002771 0.81 TP53 (0.41) SCN9ATLR7
Isopropylamine SCHEMBL4826689 0.81 PTPN1 (0.39) CSNK1DMAPK14
SCHEMBL4720965 0.81 PIM3 (0.39) CHEK1TLR7CSNK1DMAPK14GABRA5
SCHEMBL4790988 0.80 CSNK1D (0.35) SCN9ACSNK1DMAPK14
SCHEMBL4762959 0.80 GABRA5 (0.48) TLR7CSNK1DMAPK14GABRA5

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 564/4885SCN9A 4676/4885TLR7 495/4885

“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.