SCHEMBL13756752

SCHEMBL13756752

CS(=O)(=O)c1ccc(N2CCc3cnc(Nc4ccc5c(c4)OCO5)nc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.49
▸ ULK1 O75385 3/20 0.47
▸ AXL P30530 1/20 0.45
▸ EPHB4 P54760 1/20 0.42
▸ PTGS2 P35354 3/20 0.41
▸ JUN P05412 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ STK17B O94768 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL13756756 0.82 PTGS2 (0.48) BRD4PTGS2
SCHEMBL13756693 0.82 PTGS2 (0.47) BRD4PTGS2
SCHEMBL13756834 0.81 CDK2 (0.43) PTGS2MAPTPTGS1
SCHEMBL13756691 0.81 AURKA (0.54) BRD4
SCHEMBL13756753 0.81 FGFR4 (0.50) PTGS2MAPT
SCHEMBL13756846 0.80 CDK2 (0.44) PTGS2
SCHEMBL13756755 0.80 PTK2 (0.48) BRD4AXLMAPTLMNATP53
SCHEMBL13756800 0.80 CDK2 (0.46) BRD4STK17BSTK17A
SCHEMBL13756832 0.79 JAK2 (0.56) BRD4
SCHEMBL13756828 0.78 TTK (0.53) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 BRD4 964/4885ULK1 909/4885AXL 143/4885

“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.

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