SCHEMBL6071950

SCHEMBL6071950

CCOc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(C(=O)O)c(NCc3ccc(C#N)cc3)c1)=NC(C)(C)C2

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.32
AKR1B1 P15121 1/20 0.32
ACLY P53396 1/20 0.32
GAA P10253 2/20 0.31
TPH1 P17752 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.31
PLK1 P53350 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PRLHR P49683 1/20 0.31
STK4 Q13043 1/20 0.30
TRPM4 Q8TD43 1/20 0.30
MAOB P27338 1/20 0.30
PTGER4 P35408 1/20 0.30
HIF1A Q16665 1/20 0.30
PDE5A O76074 1/20 0.30

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
SCHEMBL6072286 0.94 PDE5A (0.32) AKR1B1KDM4EALDH1A1HSD17B10IRAK4
SCHEMBL6072844 0.91 ACLY (0.41) ACLYGAAKDM4EALDH1A1PLK1
SCHEMBL6072191 0.91 ACLY (0.38) ACLYGAAKDM4EALDH1A1
SCHEMBL6072164 0.91 ACLY (0.38) ACLYGAAKDM4EALDH1A1HSD17B10
SCHEMBL6072061 0.90 KDM4E (0.40) ACLYGAAKDM4EALDH1A1HSD17B10
SCHEMBL6072284 0.87 IDO1 (0.33) RXRAACLYKDM4EALDH1A1IRAK4
SCHEMBL6072162 0.86 MKNK2 (0.42) KDM4EALDH1A1IRAK4
SCHEMBL6072661 0.86 ACLY (0.40) ACLYGAAKDM4EALDH1A1HSD17B10
SCHEMBL6072762 0.86 IDO1 (0.32) ACLYKDM4EALDH1A1
SCHEMBL6071796 0.86 ALDH1A1 (0.35) ACLYGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060106048-A1 Furoisoquinoline derivative and use thereof PASCALI, PETROS P. (CY) 2006-05-18 US disclosed
EP-1541576-A1 FUROISOQUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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-20060106048-A1 Furoisoquinoline derivative and use thereof PDE3B, PDE2A, PDE3A RXRA 692/4885AKR1B1 193/4885ACLY 1588/4885

“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.