SCHEMBL5784402

SCHEMBL5784402

CNC(=O)Nc1cccc(C2=NC(C)(C)Cc3cc(OC)c4c(c32)CC(C)(C)O4)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 4/20 0.37
KMT2A Q03164 1/20 0.35
TP53 P04637 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
ABCB1 P08183 1/20 0.33
PKM P14618 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 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
SCHEMBL5788257 0.92 IDO1 (0.42) IDO1POLBLMNAABCB1PKM
SCHEMBL5784127 0.92 POLB (0.40) MAPTALDH1A1POLBMAPK1KMT2A
Hydrochloric Acid SCHEMBL5786751 0.92 MAPT (0.41) IDO1MAPTPOLBMAPK1KMT2A
SCHEMBL5785105 0.91 LMNA (0.35) IDO1MAPTKDM4EALDH1A1MAPK1
SCHEMBL5784867 0.90 BRAF (0.40) IDO1MAPTPOLBMAPK1KMT2A
SCHEMBL5783407 0.90 ADORA3 (0.39) MAPTALDH1A1POLBLMNAKMT2A
SCHEMBL6072373 0.90 LMNA (0.38) MAPTALDH1A1POLBMAPK1LMNA
SCHEMBL5787878 0.89 KDM4E (0.40) IDO1MAPTKDM4EALDH1A1POLB
SCHEMBL5785949 0.89 EHMT2 (0.41)
Hydrochloric Acid SCHEMBL5781759 0.89 IDO1 (0.34) IDO1MAPTKDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270577-B1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-12-06 EP disclosed
US-6924292-B2 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 US disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 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-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A IDO1 410/4885MAPT 3954/4885KDM4E 300/4885

“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.