SCHEMBL4313786

SCHEMBL4313786

CCN(CC)CCN(CCO)C(=O)c1ccc(C=Cc2n[nH]c3ccccc23)c(NC(=O)c2sccc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.52
▸ AURKB Q96GD4 3/20 0.52
▸ FLT3 P36888 2/20 0.38
▸ FGFR1 P11362 4/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDR P35968 5/20 0.36
▸ ITK Q08881 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ RET P07949 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ PRKACA P17612 1/20 0.34

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
SCHEMBL4313761 1.00 AURKA (0.52) AURKAAURKBFLT3FGFR1NPC1
SCHEMBL4308236 0.90 AURKA (0.56) AURKAAURKBFLT3FGFR1NPC1
SCHEMBL4308245 0.90 AURKA (0.56) AURKAAURKBFLT3FGFR1NPC1
Hydrochloric Acid SCHEMBL4311812 0.90 AURKA (0.55) AURKAAURKBFLT3FGFR1NPC1
Hydrochloric Acid SCHEMBL4311808 0.90 AURKA (0.55) AURKAAURKBFLT3FGFR1NPC1
SCHEMBL4310348 0.89 AURKA (0.52) AURKAAURKBFLT3FGFR1NPC1
SCHEMBL4310354 0.89 AURKA (0.52) AURKAAURKBFLT3FGFR1NPC1
SCHEMBL4319629 0.88 AURKA (0.55) AURKAAURKBFLT3FGFR1NPC1
SCHEMBL4319635 0.88 AURKA (0.55) AURKAAURKBFLT3FGFR1NPC1
SCHEMBL4308998 0.87 AURKA (0.53) AURKAAURKBFGFR1NPC1RAB9A

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 3438/4885FLT3 390/4885

“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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