SCHEMBL13746277

SCHEMBL13746277

N#Cc1ccc(-c2cnc3c(c2)c(-c2cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c2)cn3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.41
BRD4 O60885 3/20 0.38
PDPK1 O15530 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
CCR6 P51684 1/20 0.35
HTR6 P50406 3/20 0.34
EP300 Q09472 6/20 0.33
TNIK Q9UKE5 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CCNK O75909 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK12 Q9NYV4 1/20 0.33

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
SCHEMBL13745685 0.88 PTPN11 (0.42) PTPN11BRD4PDPK1HTR6CA12
SCHEMBL13746471 0.86 PTPN11 (0.43) PTPN11BRD4HTR6
SCHEMBL13745691 0.83 BRD4 (0.41) PTPN11BRD4PDPK1HTR6CA12
SCHEMBL13746484 0.83 PTPN11 (0.41) PTPN11BRD4
SCHEMBL13745607 0.83 GAK (0.43) PTPN11BRD4PDPK1HTR6
SCHEMBL1487531 0.82 HTR6 (0.38) PTPN11BRD4PDPK1HTR6CA12
SCHEMBL8488870 0.82 BRD4 (0.41) PTPN11BRD4PDPK1HTR6CA12
SCHEMBL8488593 0.82 HTR6 (0.38) PTPN11BRD4PDPK1HTR6CA12
SCHEMBL13746469 0.82 PTPN11 (0.39) PTPN11BRD4PDPK1HTR6CA12
SCHEMBL13746238 0.81 PTPN11 (0.49) PTPN11BRD4PDPK1CA12CA9

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 1339/4885PDPK1 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.