SCHEMBL4038778

SCHEMBL4038778

CNC(=O)c1cc(COc2nnc(Nc3ccccc3OC)c3ccoc23)ccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.69
KDR P35968 2/20 0.69
PDGFRB P09619 1/20 0.69
FLT4 P35916 1/20 0.69
ILK Q13418 1/20 0.69
MAP3K20 Q9NYL2 1/20 0.69
CSF1R P07333 3/20 0.42
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA1 P30542 2/20 0.39
BRAF P15056 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TYK2 P29597 3/20 0.36
SHMT2 P34897 1/20 0.36

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
SCHEMBL4037772 0.87 KDR (0.83) KITKDRPDGFRBFLT4ILK
SCHEMBL4035972 0.86 KDR (0.73) KITKDRPDGFRBFLT4ILK
SCHEMBL4037065 0.85 KIT (0.75) KITKDRPDGFRBFLT4ILK
SCHEMBL2200989 0.84 KDR (0.82) KITKDRPDGFRBFLT4ILK
SCHEMBL4038776 0.84 KDR (0.79) KITKDRPDGFRBFLT4ILK
SCHEMBL4035178 0.83 KIT (0.84) KITKDRPDGFRBFLT4ILK
SCHEMBL4042267 0.83 KIT (0.80) KITKDRPDGFRBFLT4ILK
SCHEMBL4037825 0.83 KIT (0.86) KITKDRPDGFRBFLT4ILK
SCHEMBL4037126 0.82 KIT (0.85) KITKDRPDGFRBFLT4ILK
SCHEMBL4035151 0.82 KDR (0.75) 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 6 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-2056799-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING GLAUCOMA OR PROGRESSION THEREOF Bausch & Lomb Incorporated (US) 2009-05-13 EP disclosed
EP-2051710-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
WO-2008027796-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING GLAUCOMA OR PROGRESSION THEREOF BAUSCH & LOMB INCORPORATED (US) 2008-03-06 WO disclosed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 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 44/4885KDR 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.