SCHEMBL6072842

SCHEMBL6072842

CCOC(=O)c1ccc(C2=NC(C)(C)Cc3cc(OCC)c4c(c32)CC(C)(C)O4)cc1NCc1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 3/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 4/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 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
SCHEMBL6072299 0.93 PKM (0.36) ALOX15PKMMAPK1ADORA2AADORA1
SCHEMBL6071853 0.91 NPSR1 (0.38) SMN1; SMN2ALOX15MAPK1RAB9AALDH1A1
SCHEMBL6071890 0.87 POLB (0.36) SMN1; SMN2RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL6071796 0.85 ALDH1A1 (0.35) RAB9AADORA2AADORA1ALDH1A1KDM4E
SCHEMBL6072191 0.85 ACLY (0.38) MAPK1RAB9AALDH1A1KDM4EMAPT
SCHEMBL6072285 0.85 MAPT (0.41) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL6071964 0.85 TSHR (0.38) SMN1; SMN2RAB9AALDH1A1KDM4EMAPT
SCHEMBL6071599 0.85 TDP1 (0.32)
SCHEMBL6072274 0.84 HDAC8 (0.37)
Hydrochloric Acid SCHEMBL6072633 0.84 KDM4E (0.35) SMN1; SMN2RAB9AALDH1A1KDM4EMEN1

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 SMN1; SMN2 4490/4885ALOX15 2448/4885PKM 2514/4885

“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.