SCHEMBL3270004

SCHEMBL3270004

CNCCn1c(=O)c2cc(O)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.57
JAK2 O60674 4/20 0.40
JAK1 P23458 4/20 0.40
JAK3 P52333 4/20 0.40
TYK2 P29597 3/20 0.40
TDP2 O95551 1/20 0.39
NUAK1 O60285 1/20 0.37
NTRK1 P04629 1/20 0.37
FLT3 P36888 1/20 0.37
NUAK2 Q9H093 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE10A Q9Y233 3/20 0.37
TP53 P04637 1/20 0.35
USP2 O75604 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL10083951 1.00 TDP1 (0.57) TDP1JAK2JAK1JAK3TYK2
Genz-644282 SCHEMBL29632787 0.94 TDP1 (0.52) TDP1JAK2JAK1JAK3TYK2
Genz-644282 SCHEMBL241696 0.94 TDP1 (0.52) TDP1JAK2JAK1JAK3TYK2
SCHEMBL12522881 0.90 TDP1 (0.60) TDP1JAK2JAK1JAK3TYK2
SCHEMBL12522967 0.88 TDP1 (0.75) TDP1JAK2JAK1JAK3TYK2
SCHEMBL2757222 0.87 TDP1 (0.42) TDP1TDP2LMNAALDH1A1HTT
SCHEMBL19456954 0.86 JAK2 (0.47) TDP1JAK2JAK1JAK3TYK2
SCHEMBL2757215 0.85 TDP1 (0.39) TDP1TDP2LMNAALDH1A1HTT
SCHEMBL241835 0.84 TDP1 (0.53) TDP1JAK2JAK1JAK3TYK2
SCHEMBL19457573 0.84 TDP1 (0.41) TDP1JAK2JAK1JAK3TYK2

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
WO-2012015875-A1 METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO disclosed
WO-2012015901-A1 METHODS FOR TREATING GASTRIC AND PANCREATIC MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO disclosed
US-20120004235-A1 METHODS TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-05 US disclosed
WO-2010088544-A1 METHODS TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-08-05 WO 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-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 TDP1 2248/4885JAK2 411/4885JAK1 1763/4885

“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.