SCHEMBL13746286

SCHEMBL13746286

COc1ccc(-c2cnc3c(c2)c(-c2cn[nH]c2)cn3S(=O)(=O)c2ccccc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.50
KIT P10721 7/20 0.47
NTRK1 P04629 2/20 0.47
PIK3CA P42336 2/20 0.47
GAK O14976 2/20 0.45
MAP4K1 Q92918 1/20 0.44
DYRK1A Q13627 2/20 0.43
PTPN11 Q06124 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
BRD4 O60885 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL13669265 0.90 GAK (0.54) AAK1KITNTRK1PIK3CAGAK
SCHEMBL13745818 0.89 KDR (0.51) PTPN11BRD4
SCHEMBL13745605 0.85 PTPN11 (0.45) PTPN11BRD4
SCHEMBL3348977 0.84 HTR6 (0.48) BRD4
SCHEMBL15607500 0.84 AAK1 (0.52) AAK1KITNTRK1PIK3CAGAK
SCHEMBL13746279 0.84 MAPK8 (0.53) PTPN11BRD4
SCHEMBL13746490 0.83 BRD4 (0.43) PTPN11BRD4
SCHEMBL4337406 0.82 BRD4 (0.59) AAK1KITNTRK1PIK3CAGAK
SCHEMBL8443781 0.82 BRD4 (0.44) PTPN11BRD4
SCHEMBL13746283 0.82 PTPN11 (0.43) KITPTPN11BRD4ROCK2

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
WO-2014004863-A2 COMPOUNDS, COMPOSITIONS, AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-01-03 WO disclosed
WO-2014004863-A2 COMPOUNDS, COMPOSITIONS, AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-01-03 WO disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
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
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 AAK1 182/4885KIT 3148/4885NTRK1 1855/4885

“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.