SCHEMBL4313754

SCHEMBL4313754

COCCN(CCN1CCOCC1)c1ccc(NC(=O)c2sccc2C)c(/C=C/c2n[nH]c3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.49
▸ AURKB Q96GD4 4/20 0.49
▸ CASR P41180 2/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK14 Q16539 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ BCL3 P20749 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ MAPK13 O15264 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ OPRK1 P41145 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
SCHEMBL4313758 1.00 AURKA (0.49) AURKAAURKBCASREPHX2ALDH1A1
SCHEMBL4319796 0.86 AURKA (0.51) AURKAAURKBALDH1A1MAPK14GAA
SCHEMBL4319792 0.86 AURKA (0.51) AURKAAURKBALDH1A1MAPK14GAA
SCHEMBL4317845 0.85 AURKA (0.52) AURKAAURKBCASRALDH1A1KDM4E
SCHEMBL4317841 0.85 AURKA (0.52) AURKAAURKBCASRALDH1A1KDM4E
SCHEMBL4309030 0.83 AURKA (0.51) AURKAAURKBMAPK14KMT2AMAPK13
SCHEMBL4309036 0.83 AURKA (0.51) AURKAAURKBMAPK14KMT2AMAPK13
SCHEMBL4324776 0.82 AURKA (0.51) AURKAAURKBALDH1A1MAPK14MAPK13
SCHEMBL4324783 0.82 AURKA (0.51) AURKAAURKBALDH1A1MAPK14MAPK13
SCHEMBL4308984 0.82 AURKB (0.56) AURKAAURKBALDH1A1MAPK14GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 3438/4885CASR 364/4885

“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.

Send feedback