SCHEMBL5694052

SCHEMBL5694052

O=C(Nc1nc(F)nc2nc[nH]c12)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.67
NT5C2 P49902 2/20 0.58
NT5E P21589 1/20 0.56
STAT3 P40763 3/20 0.54
CREBBP Q92793 1/20 0.48
HDAC1 Q13547 1/20 0.47
BTK Q06187 1/20 0.44
KDR P35968 1/20 0.44
TNNI3K Q59H18 1/20 0.44
PDPK1 O15530 1/20 0.43

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
SCHEMBL8121393 0.86 STAT3 (0.69) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL475842 0.85 BRD4 (0.66) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL5694204 0.85 BRD4 (0.66) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL8446397 0.84 BRD4 (0.64) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL10432005 0.82 BRD4 (0.62) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL23124 0.81 BRD4 (1.00) BRD4NT5C2NT5ECREBBPBTK
SCHEMBL29514799 0.81 BRD4 (1.00) BRD4NT5C2NT5ECREBBPBTK
SCHEMBL8381776 0.80 BRD4 (0.97) BRD4NT5C2NT5ECREBBPBTK
SCHEMBL5694112 0.79 NPC1 (0.49)
SCHEMBL5694222 0.79 GDA (0.55) BRD4BTKTNNI3K

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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside MITSUI CHEMICALS, INC. (JP) 2006-07-27 US disclosed
EP-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 EP 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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside NSUN2, POLR2H, POLB BRD4 434/4885NT5C2 710/4885NT5E 1192/4885

“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.