SCHEMBL4722585

SCHEMBL4722585

CCNC(=O)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 5/20 0.48
MAPK14 Q16539 5/20 0.48
KCNH2 Q12809 1/20 0.48
ACKR3 P25106 1/20 0.47
GPR119 Q8TDV5 2/20 0.44
ENPP2 Q13822 1/20 0.42
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
TP53 P04637 1/20 0.40
MMP13 P45452 1/20 0.39
HTT P42858 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
SCHEMBL4763221 0.90 MAPK11 (0.49) MAPK11MAPK14KCNH2ACKR3ENPP2
SCHEMBL4721839 0.90 MAPK11 (0.49) MAPK11MAPK14KCNH2ACKR3ENPP2
SCHEMBL4761505 0.89 MAPK11 (0.52) MAPK11MAPK14KCNH2ACKR3ENPP2
SCHEMBL4722163 0.89 MAPK11 (0.49) MAPK11MAPK14KCNH2ACKR3ENPP2
SCHEMBL6004539 0.88 MAPK11 (0.51) MAPK11MAPK14KCNH2ACKR3
SCHEMBL6004476 0.87 ACKR3 (0.41) MAPK11MAPK14KCNH2ACKR3GPR119
SCHEMBL4762479 0.86 MAPK11 (0.49) MAPK11MAPK14KCNH2ACKR3ENPP2
SCHEMBL6004382 0.84 MAPK11 (0.49) MAPK11MAPK14KCNH2ACKR3
SCHEMBL4761409 0.84 MAPK11 (0.52) MAPK11MAPK14KCNH2ACKR3
SCHEMBL6003602 0.83 MAPK11 (0.49) MAPK11MAPK14KCNH2ACKR3

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 MAPK11 45/4885MAPK14 26/4885KCNH2 4599/4885

“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.