SCHEMBL4040249

SCHEMBL4040249

CNC(=O)c1cc(COc2nnc(Nc3ccc4c(c3)CCO4)c3ccsc23)ccn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.53
KDR P35968 3/20 0.53
PDGFRB P09619 1/20 0.53
FLT4 P35916 1/20 0.53
ILK Q13418 1/20 0.53
MAP3K20 Q9NYL2 1/20 0.53
BRAF P15056 5/20 0.38
DYRK1A Q13627 1/20 0.36
CSF1R P07333 2/20 0.36
ADORA1 P30542 3/20 0.34
NPC1 O15118 1/20 0.34
CLK1 P49759 1/20 0.34
RAB9A P51151 1/20 0.34
PLK1 P53350 1/20 0.33
MAPK14 Q16539 1/20 0.33
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 1/20 0.33
P2RX3 P56373 1/20 0.32

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
SCHEMBL4037725 0.88 KIT (0.55) KITKDRPDGFRBFLT4ILK
SCHEMBL4037197 0.87 KIT (0.54) KITKDRPDGFRBFLT4ILK
SCHEMBL4035452 0.87 KIT (0.71) KITKDRPDGFRBFLT4ILK
SCHEMBL4036311 0.83 KIT (0.60) KITKDRPDGFRBFLT4ILK
SCHEMBL4042161 0.83 KIT (0.60) KITKDRPDGFRBFLT4ILK
SCHEMBL2202908 0.83 KDR (0.72) KITKDRPDGFRBFLT4ILK
SCHEMBL4037041 0.82 KDR (0.59) KITKDRPDGFRBFLT4ILK
SCHEMBL4035875 0.81 KDR (0.54) KITKDRPDGFRBFLT4ILK
SCHEMBL4040661 0.81 KIT (0.57) KITKDRPDGFRBFLT4ILK
SCHEMBL4037476 0.79 KIT (0.56) KITKDRPDGFRBFLT4ILK

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
EP-1228063-B1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORP (US) 2009-02-11 EP claimed
US-20050019424-A1 Anti-angiogenesis combination therapies comprising pyridazine or pyridine derivatives BAYER HEALTHCARE LLC 2005-01-27 US claimed

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-20050019424-A1 Anti-angiogenesis combination therapies comprising pyridazine or pyridine derivatives KDR, FLT4, FLT1 KIT 44/4885KDR 1/4885PDGFRB 7/4885

“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.