SCHEMBL5787716

SCHEMBL5787716

COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(NC(=O)c3ccc(CP(=O)(O)O)cc3)c1)=NC(C)(C)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.35
KMT2A Q03164 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
LMNA P02545 4/20 0.34
MAPT P10636 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PARP1 P09874 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL5785566 0.92 HDAC1 (0.36) ADORA3KMT2APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL5785559 0.91 HDAC1 (0.36) ADORA3KMT2APDE4APDE4BPDE4C
SCHEMBL5783407 0.90 ADORA3 (0.39) ADORA3KMT2APDE4APDE4BPDE4C
SCHEMBL5783550 0.89 PDE4A (0.44) ADORA3KMT2APDE4APDE4BPDE4C
SCHEMBL5784345 0.89 ADORA3 (0.41) ADORA3KMT2APDE4APDE4BPDE4C
SCHEMBL5784355 0.89 KCNK9 (0.42) ADORA3KMT2AMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL5785549 0.89 ADORA3 (0.40) ADORA3KMT2APDE4APDE4BPDE4C
SCHEMBL5785741 0.88 PKM (0.42) ADORA3KMT2APDE4APDE4BPDE4C
SCHEMBL6578417 0.86 NPC1 (0.37) KMT2ALMNAMAPTNPSR1PARP1
SCHEMBL6072085 0.86 POLB (0.42) KMT2AMAPTNPC1RAB9ASMN1; 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 2412/4885KMT2A 1140/4885PDE4A 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.