SCHEMBL4133341

SCHEMBL4133341

COc1cc2nc[nH]c(=O)c2cc1OS(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.53
PARP1 P09874 7/20 0.44
CHEK1 O14757 2/20 0.44
PIM1 P11309 2/20 0.44
AKT1 P31749 1/20 0.44
FLT3 P36888 1/20 0.44
PIM3 Q86V86 1/20 0.44
RPS6KA3 P51812 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
IP6K1 Q92551 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
SLC2A1 P11166 1/20 0.40
ALK Q9UM73 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL8917 0.89 SRC (0.63) SRCPARP1CHEK1PIM1AKT1
SCHEMBL3660808 0.82 SRC (0.56) SRCPARP1CHEK1PIM1AKT1
SCHEMBL4374144 0.82 SRC (0.47) SRCPARP1CHEK1PIM1RPS6KA3
SCHEMBL1014333 0.81 SRC (0.55) SRCPARP1CHEK1PIM1AKT1
SCHEMBL1012421 0.81 SRC (0.55) SRCPARP1CHEK1PIM1AKT1
SCHEMBL4133337 0.81 SRC (0.48) SRCPARP1CHEK1PIM1AKT1
SCHEMBL13787116 0.80 SRC (0.53) SRCPARP1CHEK1PIM1AKT1
SCHEMBL22631489 0.80 SRC (0.53) SRCPARP1CHEK1PIM1AKT1
SCHEMBL12247774 0.79 SRC (0.55) SRCPARP1CHEK1PIM1AKT1
SCHEMBL12779090 0.79 PARP1 (0.53) SRCPARP1CHEK1PIM1AKT1

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-20090076044-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-03-19 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 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 (2 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 SRC 901/4885PARP1 201/4885CHEK1 218/4885
US-20090076044-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY KDR, HDAC1, FLT4 SRC 147/4885PARP1 287/4885CHEK1 2002/4885

“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.