SCHEMBL2845781

SCHEMBL2845781

Cn1c([S+](C)[O-])nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.58
GSK3B P49841 1/20 0.48
MAPK10 P53779 1/20 0.47
EGFR P00533 1/20 0.47
RAF1 P04049 1/20 0.47
ERBB2 P04626 1/20 0.47
KDR P35968 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL2845098 1.00 MAPK14 (0.58) MAPK14GSK3BMAPK10EGFRRAF1
SCHEMBL2844502 0.99 MAPK14 (0.56) MAPK14GSK3BMAPK10PDE4APDE4B
SCHEMBL3233633 0.91 MAPK14 (0.61) MAPK14GSK3BMAPK10PDE4APDE4B
SCHEMBL3237225 0.91 MAPK14 (0.59) MAPK14GSK3BMAPK10PDE4APDE4B
SCHEMBL2845905 0.88 MAPK14 (0.60) MAPK14MAPK10EGFRRAF1ERBB2
SCHEMBL2849131 0.88 MAPK14 (0.60) MAPK14MAPK10EGFRRAF1ERBB2
SCHEMBL3238673 0.87 MAPK14 (0.60) MAPK14GSK3BMAPK10PDE4APDE4B
SCHEMBL3238366 0.87 MAPK14 (0.60) MAPK14GSK3BMAPK10PDE4APDE4B
SCHEMBL2845855 0.87 MAPK14 (0.58) MAPK14MAPK10
SCHEMBL2846010 0.87 MAPK14 (0.59) MAPK14MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273833-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2010-10-28 US claimed
EP-1853581-B1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2010-06-02 EP claimed
US-20100273833-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2010-10-28 US disclosed
EP-1853581-B1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2010-06-02 EP disclosed
EP-1853581-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2007-11-14 EP disclosed
WO-2006089798-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2006-08-31 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-20100273833-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B MAPK14 1604/4885GSK3B 3359/4885MAPK10 1817/4885

“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.