SCHEMBL6072299

SCHEMBL6072299

CCOc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(C(=O)O)c(NCc3ccccn3)c1)=NC(C)(C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 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
ACLY P53396 2/20 0.33
ALDH1A1 P00352 3/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
BRD4 O60885 1/20 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
SCHEMBL6072842 0.93 SMN1; SMN2 (0.36) PKMALOX15MAPK1ADORA2AADORA1
SCHEMBL6072191 0.92 ACLY (0.38) MAPK1MEN1KMT2AHTTMAPT
SCHEMBL6072844 0.90 ACLY (0.41) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL6072284 0.89 IDO1 (0.33) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL6072532 0.89 HDAC8 (0.36) PKMMAPK1MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6072215 0.88 MAPT (0.42) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL6072050 0.88 KDM4E (0.42) KMT2AMAPTKDM4EALDH1A1TP53
SCHEMBL6072777 0.88 AKR1C3 (0.35) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL6072762 0.88 IDO1 (0.32) MAPTKDM4EACLYALDH1A1IDO1
SCHEMBL6072164 0.87 ACLY (0.38) ALOX15MEN1KMT2AHTTMAPT

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 PKM 2514/4885ALOX15 2448/4885MAPK1 1315/4885

“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.