SCHEMBL4723796

SCHEMBL4723796

CCCNC(=O)c1csc(-c2c(-c3ccc(Cl)cc3)ncn2C2CCNCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.45
MAPKAPK2 P49137 1/20 0.43
MAPK14 Q16539 11/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
CSNK1D P48730 2/20 0.39
CSNK1E P49674 2/20 0.39
CNR1 P21554 1/20 0.39
ACKR3 P25106 1/20 0.39

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
SCHEMBL4719200 0.92 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL4723794 0.86 MAPK14 (0.48) BRD4MAPKAPK2MAPK14GAARAB9A
SCHEMBL4760720 0.81 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6004043 0.80 CSNK1E (0.50) MAPK14CSNK1DCSNK1E
SCHEMBL6004454 0.79 CSNK1E (0.47) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL4723030 0.78 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL4719198 0.78 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6004538 0.77 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL4760240 0.76 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6004035 0.75 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11CSNK1D

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 BRD4 1490/4885MAPKAPK2 10/4885MAPK14 26/4885

“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.