SCHEMBL13745685

SCHEMBL13745685

O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(-c3ccc(F)cc3)cnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
BRD4 O60885 5/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PDPK1 O15530 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTR6 P50406 5/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL13746277 0.88 PTPN11 (0.41) PTPN11BRD4PDPK1HTR6CA12
SCHEMBL13746471 0.88 PTPN11 (0.43) PTPN11BRD4ALDH1A1HPGDMEN1
SCHEMBL13745691 0.86 BRD4 (0.41) PTPN11BRD4PDPK1GAARXFP1
SCHEMBL13746484 0.85 PTPN11 (0.41) PTPN11BRD4
SCHEMBL13745607 0.85 GAK (0.43) PTPN11BRD4PDPK1HTR6
SCHEMBL8488870 0.85 BRD4 (0.41) PTPN11BRD4PDPK1HTR6CA12
SCHEMBL1487531 0.85 HTR6 (0.38) PTPN11BRD4PDPK1HTR6CA12
SCHEMBL8488593 0.85 HTR6 (0.38) PTPN11BRD4PDPK1HTR6CA12
SCHEMBL13746469 0.84 PTPN11 (0.39) PTPN11BRD4MAPTPDPK1KDM4E
SCHEMBL13746238 0.83 PTPN11 (0.49) PTPN11BRD4ALDH1A1HPGDPDPK1

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 1694/4885BRD4 1339/4885ALDH1A1 3681/4885

“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.