SCHEMBL6508733

SCHEMBL6508733

Cc1cccc2c(-c3nc(CN4CCC(N(C)C)C4)c(-c4ccc(C(F)(F)F)nc4)s3)n[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.34
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
TNKS O95271 2/20 0.33
PARP1 P09874 1/20 0.33
NMT1 P30419 1/20 0.32
SCN1A P35498 3/20 0.31
SCN8A Q9UQD0 3/20 0.31
KDM1A O60341 1/20 0.31
PIK3CD O00329 2/20 0.31
MAP4K4 O95819 2/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
AXL P30530 1/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
CXCR3 P49682 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL5774263 0.82 ATR (0.40) PIK3CDMAP4K4
SCHEMBL5773738 0.73 ATR (0.42) MAP4K4
SCHEMBL5771644 0.73 ATR (0.42) MAP4K4
SCHEMBL5770001 0.72 LRRK2 (0.40)
SCHEMBL5773750 0.72 ATR (0.41) MAP4K4
SCHEMBL5769639 0.70 ATR (0.43) KDM1AMAP4K4
SCHEMBL5811219 0.68 ATR (0.40) PARP1MAP4K4
SCHEMBL5768174 0.68 KDM5A (0.39) PARP1MAP4K4KCNH2
SCHEMBL5772822 0.68 KDM5A (0.39) PARP1MAP4K4KCNH2
SCHEMBL5873060 0.66 DYRK1A (0.40) PARP1KCNH2

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-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 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-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B NSD2 3177/4885ABL1 1232/4885BCR 2429/4885

“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.