SCHEMBL4805643

SCHEMBL4805643

O=C(CCCCCCNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1)NO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.69
FGFR1 P11362 7/20 0.68
CSF1R P07333 3/20 0.68
PDGFRB P09619 3/20 0.68
KIT P10721 3/20 0.68
PDGFRA P16234 3/20 0.68
LCK P06239 3/20 0.68
HDAC6 Q9UBN7 3/20 0.68
PLK4 O00444 2/20 0.68
AURKA O14965 2/20 0.68
MAP4K4 O95819 2/20 0.68
PAK4 O96013 2/20 0.68
ABL1 P00519 2/20 0.68
RET P07949 2/20 0.68
MET P08581 2/20 0.68
FLT1 P17948 2/20 0.68
FGFR3 P22607 2/20 0.68
TYK2 P29597 2/20 0.68
AXL P30530 2/20 0.68
FLT4 P35916 2/20 0.68

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
SCHEMBL4805651 1.00 KDR (0.69) KDRFGFR1CSF1RPDGFRBKIT
SCHEMBL4053991 1.00 KDR (0.69) KDRFGFR1CSF1RPDGFRBKIT
SCHEMBL4053989 1.00 KDR (0.69) KDRFGFR1CSF1RPDGFRBKIT
SCHEMBL4058055 0.99 KDR (0.70) KDRFGFR1CSF1RPDGFRBKIT
SCHEMBL4058051 0.99 KDR (0.70) KDRFGFR1CSF1RPDGFRBKIT
SCHEMBL8086200 0.97 KDR (0.71) KDRFGFR1CSF1RPDGFRBKIT
SCHEMBL4897769 0.90 KDR (0.71) KDRFGFR1CSF1RPDGFRBKIT
SCHEMBL4064379 0.90 KDR (0.71) KDRFGFR1CSF1RPDGFRBKIT
SCHEMBL4051141 0.89 KDR (0.72) KDRFGFR1CSF1RPDGFRBKIT
SCHEMBL14067311 0.89 KDR (0.76) KDRFGFR1CSF1RPDGFRBKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009036066-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 KDR 2667/4885FGFR1 768/4885CSF1R 1746/4885

“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.