SCHEMBL5783407

SCHEMBL5783407

CNC(=O)c1ccc(C(=O)Nc2cccc(C3=NC(C)(C)Cc4cc(OC)c5c(c43)CC(C)(C)O5)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
SMO Q99835 4/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SIRT1 Q96EB6 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOA P21397 1/20 0.35

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
SCHEMBL5784345 0.94 ADORA3 (0.41) ADORA3SMOPDE4APDE4BPDE4C
SCHEMBL5783550 0.94 PDE4A (0.44) ADORA3SMOPDE4APDE4BPDE4C
SCHEMBL5784355 0.94 KCNK9 (0.42) ADORA3SMOKMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL5785549 0.94 ADORA3 (0.40) ADORA3SMOPDE4APDE4BPDE4C
SCHEMBL5785741 0.93 PKM (0.42) ADORA3PDE4APDE4BPDE4CPDE4D
SCHEMBL5786515 0.91 LMNA (0.36) SMOKMT2ALMNATP53SMN1; SMN2
SCHEMBL6072085 0.90 POLB (0.42) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL5787716 0.90 ADORA3 (0.35) ADORA3SMOPDE4APDE4BPDE4C
SCHEMBL5784402 0.90 IDO1 (0.37) KMT2AMAPTLMNAALDH1A1TP53
SCHEMBL5782819 0.90 LMNA (0.38) KMT2ANPC1LMNATP53SMN1; SMN2

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 ADORA3 2412/4885SMO 502/4885PDE4A 6/4885

“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.