SCHEMBL5784366

SCHEMBL5784366

COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(-c3ccccn3)c1)=NC(C)(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
PDE2A O00408 1/20 0.34
CYP1A2 P05177 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 5/20 0.33
PKM P14618 2/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
GHSR Q92847 1/20 0.32
ERN1 O75460 1/20 0.32
CTSD P07339 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
SCHEMBL5785584 0.93 HPGD (0.36) SMN1; SMN2KDM4ELMNATP53HPGD
SCHEMBL5788797 0.90 KDM4E (0.38) SMN1; SMN2KDM4ELMNATP53HPGD
SCHEMBL5787614 0.88 KDM4E (0.38) SMN1; SMN2KDM4ELMNATP53HPGD
SCHEMBL5784424 0.87 KDM4E (0.38) SMN1; SMN2KDM4ELMNATP53HPGD
SCHEMBL5785757 0.86 KDM4E (0.41) SMN1; SMN2KDM4ELMNATP53HPGD
SCHEMBL5787698 0.86 KDM4E (0.35) SMN1; SMN2KDM4ELMNATP53HPGD
SCHEMBL5786161 0.85 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ELMNATP53HPGD
Hydrochloric Acid SCHEMBL5783013 0.85 KDM4E (0.40) SMN1; SMN2KDM4ELMNATP53HPGD
SCHEMBL5782315 0.84 KDM4E (0.39) SMN1; SMN2KDM4ELMNATP53HPGD
SCHEMBL5785405 0.84 CHEK1 (0.41) SMN1; SMN2KDM4ELMNATP53HPGD

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 SMN1; SMN2 4678/4885KDM4E 300/4885LMNA 4533/4885

“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.