SCHEMBL4324776

SCHEMBL4324776

COc1cc(/C=C/c2n[nH]c3ccccc23)c(NC(=O)c2sccc2C)cc1OCCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.51
▸ AURKB Q96GD4 6/20 0.51
▸ HDAC1 Q13547 2/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ EGFR P00533 4/20 0.41
▸ SRC P12931 3/20 0.41
▸ KDR P35968 2/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ RET P07949 1/20 0.41
▸ MET P08581 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ LTK P29376 1/20 0.41
▸ TTK P33981 1/20 0.41
▸ MAP2K2 P36507 1/20 0.41
▸ MAP2K1 Q02750 1/20 0.41

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
SCHEMBL4324783 1.00 AURKA (0.51) AURKAAURKBHDAC1KEAP1NFE2L2
SCHEMBL4309030 0.97 AURKA (0.51) AURKAAURKBHDAC1EGFRKDR
SCHEMBL4309036 0.97 AURKA (0.51) AURKAAURKBHDAC1EGFRKDR
SCHEMBL4309538 0.87 AURKA (0.46) AURKAAURKBKEAP1NFE2L2EGFR
SCHEMBL4327238 0.86 AURKA (0.53) AURKAAURKBALDH1A1MAPTNTRK2
SCHEMBL4327231 0.86 AURKA (0.53) AURKAAURKBALDH1A1MAPTNTRK2
SCHEMBL4314467 0.86 AURKA (0.48) AURKAAURKBALDH1A1MAPTNTRK2
SCHEMBL4314487 0.86 AURKA (0.48) AURKAAURKBALDH1A1MAPTNTRK2
SCHEMBL4319796 0.85 AURKA (0.51) AURKAAURKBHDAC1KDRALDH1A1
SCHEMBL4308984 0.85 AURKB (0.56) AURKAAURKBHDAC1KDRALDH1A1

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 3438/4885HDAC1 243/4885

“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.

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