SCHEMBL13746237

SCHEMBL13746237

CC(C)(C)[Si](C)(C)n1cc(-c2coc(C=O)c2)c2cc(-c3ccccc3Oc3ccccc3)cnc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAMKK2 Q96RR4 3/20 0.36
▸ FYN P06241 2/20 0.35
▸ BRD4 O60885 8/20 0.34
▸ PTGS2 P35354 1/20 0.31
▸ CHRNB1 P11230 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNB3 Q05901 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ TEK Q02763 1/20 0.30

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
SCHEMBL13746227 0.80 FYN (0.37) CAMKK2FYNBRD4
SCHEMBL13745693 0.80 FYN (0.41) CAMKK2FYNBRD4PTGS2MAOB
SCHEMBL13745689 0.78 PTGS2 (0.36) CAMKK2FYNBRD4PTGS2MAOB
SCHEMBL8313429 0.75 CAMKK2 (0.63) CAMKK2
SCHEMBL1487576 0.65 HTR6 (0.45) CAMKK2FYNBRD4PTGS2
SCHEMBL14030973 0.65 FYN (0.36) CAMKK2FYNBRD4PTGS2
SCHEMBL13609250 0.65 BRD4 (0.47) CAMKK2FYNBRD4PTGS2MAOB
SCHEMBL13609200 0.63 BRD4 (0.44) CAMKK2FYNBRD4
SCHEMBL13745799 0.62 BRD4 (0.41) CAMKK2FYNBRD4PTGS2
SCHEMBL13746461 0.62 CAMKK2 (0.42) CAMKK2FYNBRD4PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 — — US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 — — US 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-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 CAMKK2 94/4885FYN 259/4885BRD4 1339/4885

“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.

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