SCHEMBL13628332

SCHEMBL13628332

O=C1Nc2cc(Br)ccc2/C1=C/O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.53
KDR P35968 1/20 0.52
PIM1 P11309 2/20 0.50
PIM3 Q86V86 2/20 0.50
PIM2 Q9P1W9 2/20 0.50
CES1 P23141 1/20 0.47
CCNB2 O95067 4/20 0.47
CDK1 P06493 4/20 0.47
CCNB1 P14635 4/20 0.47
CCNB3 Q8WWL7 4/20 0.47
HSP90AA1 P07900 2/20 0.47
CCR6 P51684 1/20 0.47
PLK4 O00444 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAP1LC3B Q9GZQ8 1/20 0.45
RPS6KA3 P51812 1/20 0.43
RET P07949 1/20 0.43
RAF1 P04049 1/20 0.42

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
SCHEMBL4855366 0.79 TGM2 (0.72) TGM2KDRPIM1CCNB2CDK1
SCHEMBL4855375 0.79 TGM2 (0.72) TGM2KDRPIM1CCNB2CDK1
SCHEMBL13910827 0.79 TGM2 (0.48) TGM2KDRPIM1CES1RPS6KA3
SCHEMBL19931150 0.79 TGM2 (0.59) TGM2KDRPIM1PIM3PIM2
SCHEMBL249650 0.78 MEN1 (0.58) KDRPIM1PLK4MEN1KMT2A
SCHEMBL249651 0.78 MEN1 (0.58) KDRPIM1PLK4MEN1KMT2A
SCHEMBL5773323 0.77 RAF1 (0.73) PIM1PIM3PIM2PLK4MEN1
SCHEMBL7980521 0.77 RAF1 (0.73) PIM1PIM3PIM2PLK4MEN1
SCHEMBL2573841 0.77 PIM1 (0.57) TGM2KDRPIM1MEN1KMT2A
SCHEMBL2573839 0.77 PIM1 (0.57) TGM2KDRPIM1MEN1KMT2A

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-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 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-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 TGM2 2774/4885KDR 3535/4885PIM1 555/4885

“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.