SCHEMBL2280274

SCHEMBL2280274

Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3nnc(-c4ccccc4)cc23)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.45
PDPK1 O15530 1/20 0.44
HTR6 P50406 3/20 0.43
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDR P35968 1/20 0.39
EPHB4 P54760 1/20 0.39
PIM1 P11309 1/20 0.39
GRM2 Q14416 1/20 0.39
METAP2 P50579 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
AXL P30530 2/20 0.36

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
SCHEMBL2750994 0.83 PDPK1 (0.54) BRD4PDPK1HTR6L3MBTL1AXL
SCHEMBL2752683 0.80 PDPK1 (0.47) BRD4PDPK1HTR6L3MBTL1GRM2
SCHEMBL8192188 0.80 PDPK1 (0.47) BRD4PDPK1HTR6L3MBTL1GRM2
SCHEMBL7934134 0.80 HTR6 (0.43) BRD4PDPK1HTR6L3MBTL1PIM1
SCHEMBL12404281 0.79 BRD4 (0.48) BRD4SMARCA2SMARCA4KDREPHB4
SCHEMBL13505060 0.79 HTR6 (0.46) BRD4PDPK1HTR6TTK
SCHEMBL27973935 0.79 HTR6 (0.54) BRD4PDPK1HTR6L3MBTL1GRM2
SCHEMBL2277128 0.78 MAPK1 (0.43) BRD4PDPK1HTR6KDREPHB4
SCHEMBL13505038 0.78 PDPK1 (0.45) BRD4PDPK1HTR6L3MBTL1GRM2
SCHEMBL3346632 0.78 PDPK1 (0.45) BRD4PDPK1HTR6GRM2

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-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 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-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE DAPK1, DAPK2, DAPK3 BRD4 837/4885PDPK1 115/4885HTR6 3357/4885

“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.