SCHEMBL13745689

SCHEMBL13745689

CC(C)(C)[Si](C)(C)n1cc(-c2cnn(S(=O)(=O)c3ccccc3)c2)c2cc(-c3ccccc3Oc3ccccc3)cnc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.36
▸ CAMKK2 Q96RR4 3/20 0.35
▸ FYN P06241 2/20 0.34
▸ BRD4 O60885 8/20 0.33
▸ BTK Q06187 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ SCN9A Q15858 1/20 0.31

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
SCHEMBL13745576 0.81 PTPN11 (0.35) BRD4ALDH1A1
SCHEMBL13745693 0.78 FYN (0.41) PTGS2CAMKK2FYNBRD4MAOB
SCHEMBL13746237 0.78 CAMKK2 (0.36) PTGS2CAMKK2FYNBRD4MAOB
SCHEMBL8320586 0.77 CAMKK2 (0.60) CAMKK2IGF1R
SCHEMBL13746227 0.77 FYN (0.37) CAMKK2FYNBRD4
SCHEMBL1487576 0.75 HTR6 (0.45) PTGS2CAMKK2FYNBRD4SCN9A
SCHEMBL13745799 0.72 BRD4 (0.41) PTGS2CAMKK2FYNBRD4
SCHEMBL1487602 0.71 BRD4 (0.56) PTGS2CAMKK2FYNBRD4IGF1R
SCHEMBL13746458 0.70 BRD4 (0.41) PTGS2CAMKK2FYNBRD4KMT2A
SCHEMBL14031013 0.70 BRD4 (0.41) PTGS2CAMKK2FYNBRD4SCN9A

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 PTGS2 712/4885CAMKK2 94/4885FYN 259/4885

“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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