SCHEMBL4322689

SCHEMBL4322689

O=[N+]([O-])c1ccc(N2CCOCC2)cc1C=Cc1n[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
FGFR1 P11362 1/20 0.48
FLT1 P17948 1/20 0.48
MAPT P10636 14/20 0.47
PKM P14618 1/20 0.47
ITK Q08881 1/20 0.47
ALDH1A1 P00352 9/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CTSB P07858 1/20 0.45
MAPK1 P28482 1/20 0.45
LRRK2 Q5S007 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL4322686 1.00 AURKA (0.48) AURKAAURKBFGFR1FLT1MAPT
SCHEMBL27691469 0.92 FGFR1 (0.51) AURKAAURKBFGFR1FLT1MAPT
SCHEMBL4320637 0.88 MAPT (0.48) AURKAAURKBFGFR1FLT1MAPT
SCHEMBL4320632 0.88 MAPT (0.48) AURKAAURKBFGFR1FLT1MAPT
SCHEMBL4309003 0.83 AURKA (0.44) AURKAAURKBFGFR1FLT1MAPT
SCHEMBL4309001 0.83 AURKA (0.44) AURKAAURKBFGFR1FLT1MAPT
SCHEMBL4326947 0.83 FGFR1 (0.53) AURKAAURKBFGFR1FLT1MAPT
SCHEMBL4326946 0.83 FGFR1 (0.53) AURKAAURKBFGFR1FLT1MAPT
SCHEMBL4317893 0.81 FGFR1 (0.55) AURKAAURKBFGFR1FLT1MAPT
SCHEMBL4317889 0.81 FGFR1 (0.55) AURKAAURKBFGFR1FLT1MAPT

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
CN-101111483-B IGF-1R inhibitors KYOWA HAKKO KIRIN CO.,LTD. (JP) 2011-12-14 CN disclosed
US-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
CN-101111483-A IGF-1R inhibitors KYOWA HAKKO KOGYO KK (JP) 2008-01-23 CN disclosed
EP-1847532-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP 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-20090054508-A1 IGF-1R INHIBITOR IGF1R, IGFBP5, IGFBP1 AURKA 3687/4885AURKB 3438/4885FGFR1 18/4885

“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.