SCHEMBL13745576

SCHEMBL13745576

CN(C)c1ccc(-c2cnc3c(c2)c(-c2cnn(S(=O)(=O)c4ccccc4)c2)cn3[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 3/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ PDPK1 O15530 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HTR6 P50406 2/20 0.31
▸ AURKA O14965 1/20 0.31
▸ MET P08581 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ ACVR1 Q04771 1/20 0.30
▸ MMP8 P22894 2/20 0.30
▸ MMP3 P08254 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
SCHEMBL13745689 0.81 PTGS2 (0.36) BRD4ALDH1A1
SCHEMBL8321704 0.78 MAPK8 (0.55) PDPK1PIK3CDMAPK8MAPK9MAPK10
SCHEMBL13746752 0.77 KIT (0.35) PTPN11PDPK1MAPK8MAPK9MAPK10
SCHEMBL13745617 0.77 CDK8 (0.38) PTPN11ALDH1A1MAPK8MAPK9MAPK10
SCHEMBL13745553 0.75 CYP2A6 (0.35) ALDH1A1MAPTSMN1; SMN2MAPK8MAPK9
SCHEMBL13854152 0.74 MC4R (0.38) PTPN11ALDH1A1MAPK8MAPK9MAPK10
SCHEMBL8320074 0.73 MAPK8 (0.37) ALDH1A1MAPTSMN1; SMN2AURKAMAPK8
SCHEMBL1487552 0.73 PTPN11 (0.47) PTPN11BRD4PDPK1HTR6AURKA
SCHEMBL13745786 0.72 ABL1 (0.35) ALDH1A1MAPTMAPK8MAPK9MAPK10
SCHEMBL13745784 0.71 PTPN11 (0.45) PTPN11BRD4PDPK1HTR6AURKA

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 PTPN11 1694/4885BRD4 1339/4885PDPK1 279/4885

“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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