SCHEMBL13746471

SCHEMBL13746471

COc1ccc(-c2cnc3c(c2)c(-c2cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c2)cn3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 11/20 0.43
HTR6 P50406 2/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
KDR P35968 1/20 0.40
BRD4 O60885 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
ELAVL1 Q15717 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3354296 0.91 HTR6 (0.43) PTPN11HTR6DRD2HTR2AHTR7
SCHEMBL13745607 0.90 GAK (0.43) PTPN11HTR6BRD4
SCHEMBL13745685 0.88 PTPN11 (0.42) PTPN11HTR6BRD4MEN1MAPT
SCHEMBL13746277 0.86 PTPN11 (0.41) PTPN11HTR6BRD4
SCHEMBL17200871 0.86 KDR (0.51) PTPN11HTR6DRD2HTR2AHTR7
SCHEMBL13745691 0.85 BRD4 (0.41) PTPN11HTR6DRD2HTR2AHTR7
SCHEMBL13746238 0.84 PTPN11 (0.49) PTPN11KDRBRD4HPGDALDH1A1
SCHEMBL8488870 0.84 BRD4 (0.41) PTPN11HTR6DRD2HTR2AHTR7
SCHEMBL13746484 0.83 PTPN11 (0.41) PTPN11KDRBRD4
SCHEMBL1487531 0.82 HTR6 (0.38) PTPN11HTR6DRD2HTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTPN11 1694/4885HTR6 2381/4885DRD2 4414/4885

“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.