SCHEMBL3373577

SCHEMBL3373577

O=C(O)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCNCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 8/20 0.59
MAPK14 Q16539 8/20 0.59
KCNH2 Q12809 1/20 0.47
MAPK13 O15264 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK12 P53778 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PTGER1 P34995 2/20 0.38
LDHA P00338 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
LMNA P02545 1/20 0.37
PTPN1 P18031 1/20 0.36
PLAT P00750 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
Isopropylamine SCHEMBL4890140 0.94 MAPK11 (0.53) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4762891 0.86 MAPK11 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4761409 0.86 MAPK11 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4865422 0.86 MAPK14 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4828451 0.86 MAPK11 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4761678 0.86 MAPK14 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4761470 0.85 MAPK11 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4761674 0.85 MAPK11 (0.51) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL6004425 0.84 MAPK11 (0.56) MAPK11MAPK14KCNH2MAPK9LMNA
SCHEMBL4830402 0.84 MAPK11 (0.50) MAPK11MAPK14KCNH2MAPK13RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102186479-A Aminopyrimidine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC 2011-09-14 CN disclosed
WO-2010030757-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
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.