SCHEMBL4037065

SCHEMBL4037065

CNC(=O)c1cc(COc2nnc(Nc3ccc(C)c(OC)c3)c3ccoc23)ccn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.75
PDGFRB P09619 2/20 0.75
KDR P35968 2/20 0.75
FLT4 P35916 1/20 0.75
ILK Q13418 1/20 0.75
MAP3K20 Q9NYL2 1/20 0.75
CSF1R P07333 4/20 0.41
POLB P06746 3/20 0.40
GAA P10253 1/20 0.40
GRM4 Q14833 1/20 0.40
MAPT P10636 3/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA1 P30542 2/20 0.36
FLT1 P17948 1/20 0.35
P2RX3 P56373 2/20 0.35
BRAF P15056 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DDR2 Q16832 1/20 0.33

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
SCHEMBL4038776 0.89 KDR (0.79) KITPDGFRBKDRFLT4ILK
SCHEMBL2200989 0.88 KDR (0.82) KITPDGFRBKDRFLT4ILK
SCHEMBL4037126 0.88 KIT (0.85) KITPDGFRBKDRFLT4ILK
SCHEMBL4042267 0.87 KIT (0.80) KITPDGFRBKDRFLT4ILK
SCHEMBL4037825 0.87 KIT (0.86) KITPDGFRBKDRFLT4ILK
SCHEMBL4035972 0.86 KDR (0.73) KITPDGFRBKDRFLT4ILK
SCHEMBL4035650 0.86 KDR (0.84) KITPDGFRBKDRFLT4ILK
SCHEMBL4039093 0.86 KIT (0.81) KITPDGFRBKDRFLT4ILK
SCHEMBL4035151 0.86 KDR (0.75) KITPDGFRBKDRFLT4ILK
Telatinib SCHEMBL1250560 0.85 KDR (1.00) KITPDGFRBKDRFLT4ILK

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 5 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
EP-2051967-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS AstraZeneca AB (SE) 2009-04-29 EP disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 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-20050019424-A1 Anti-angiogenesis combination therapies comprising pyridazine or pyridine derivatives KDR, FLT4, FLT1 KIT 44/4885PDGFRB 7/4885KDR 1/4885

“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.