SCHEMBL6071789

SCHEMBL6071789

CCOc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(C(=O)OC)c(NC(=O)c3ccncc3)c1)=NC(C)(C)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
AHR P35869 1/20 0.35
GSK3B P49841 3/20 0.34
CREBBP Q92793 2/20 0.34
GSK3A P49840 1/20 0.34
ABCB1 P08183 2/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL6071949 0.93 HDAC1 (0.38) GAAAHRCREBBPMAPTKDM4E
SCHEMBL6072217 0.93 CREBBP (0.38) GAAAHRGSK3BCREBBPGSK3A
SCHEMBL6072311 0.92 ABCG2 (0.36) GAAAHRGSK3BCREBBPGSK3A
SCHEMBL6071922 0.92 KDM4E (0.43) GAAABCB1ABCG2MAPTLMNA
SCHEMBL6072606 0.91 ABCG2 (0.35) AHRCREBBPABCB1ABCG2MAPT
SCHEMBL6072201 0.90 TDP1 (0.39) MAPTLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL6072285 0.89 MAPT (0.41) GAAAHRABCB1ABCG2MAPT
SCHEMBL6072110 0.89 CASP1 (0.35) GAAAHRGSK3BCREBBPGSK3A
SCHEMBL6071599 0.88 TDP1 (0.32)
SCHEMBL6071784 0.88 MAPT (0.40) GAAMAPTLMNAKDM4EHTT

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 GAA 3467/4885AHR 551/4885GSK3B 1545/4885

“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.