SCHEMBL5908617

SCHEMBL5908617

CC(C)c1csc(Cc2cc3c(cc2F)c(=O)c(C(=O)O)c(N2CCOCC2)n3C2CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ CSNK1G3 Q9Y6M4 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ PIK3CD O00329 2/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ MEN1 O00255 5/20 0.32
▸ KMT2A Q03164 5/20 0.32
▸ KDM4E B2RXH2 4/20 0.32

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
SCHEMBL5908741 0.91 KDM4E (0.39) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL6499194 0.88 PIK3CA (0.34) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL6498293 0.80 ALDH1A1 (0.39) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL5908454 0.72 KDM4E (0.35) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL5908450 0.72 KDM4E (0.35) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL5908463 0.72 KDM4E (0.35) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL5777367 0.70 KDM4E (0.48) GAALMNAMEN1KMT2AKDM4E
SCHEMBL5908263 0.69 ALDH1A1 (0.51) GAALMNAMEN1KMT2AKDM4E
SCHEMBL5814129 0.66 ADORA2A (0.35) LMNAMAPK8MEN1KMT2AKDM4E
SCHEMBL30482929 0.66 PIM1 (0.41) PRKD3PIM1GSK3AGSK3BIRAK1

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-7056917-B2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-06 — — US disclosed
US-20060106034-A1 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-18 — — US disclosed
US-20030092720-A1 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD (JP) 2003-05-15 — — US 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 (2 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-20030092720-A1 Drug efflux pump inhibitor ABCB11, ABCB1, ABCC1 PRKD3 2985/4885PIM1 1360/4885GSK3A 2470/4885
US-20060106034-A1 Drug efflux pump inhibitor ABCB11, ABCB1, ABCC5 PRKD3 2584/4885PIM1 1818/4885GSK3A 4148/4885

“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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