SCHEMBL5785405

SCHEMBL5785405

COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(-c3cccnc3)c1)=NC(C)(C)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.41
BACE1 P56817 6/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
KCNH2 Q12809 3/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CYP19A1 P11511 4/20 0.34
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
LMNA P02545 2/20 0.34
CYP17A1 P05093 1/20 0.34
KDM4E B2RXH2 2/20 0.34
SLC2A1 P11166 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSD P07339 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
MAPK1 P28482 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
SCHEMBL5787461 0.94 CHEK1 (0.37) CHEK1PDGFRBPDGFRACYP19A1CYP11B1
Hydrochloric Acid SCHEMBL5785597 0.93 PDGFRB (0.36) CHEK1BACE1PDGFRBPDGFRAMKNK1
SCHEMBL5784063 0.91 BACE1 (0.36) CHEK1BACE1KCNH2LMNAKDM4E
SCHEMBL5787698 0.90 KDM4E (0.35) CHEK1BACE1PDGFRBPDGFRAKCNH2
SCHEMBL5787614 0.89 KDM4E (0.38) LMNAKDM4ESLC2A1TP53HPGD
SCHEMBL5786837 0.88 LMNA (0.39) CHEK1BACE1LMNAKDM4ESLC2A1
Hydrochloric Acid SCHEMBL5785277 0.87 LMNA (0.31) CHEK1LMNAKDM4ESLC2A1TP53
SCHEMBL5785307 0.87 KDM4E (0.35) BACE1KCNH2LMNAKDM4ESLC2A1
SCHEMBL5785509 0.86 MAP4K4 (0.35) BACE1LMNAKDM4ESLC2A1TP53
SCHEMBL5785466 0.86 KDM4E (0.34) CHEK1BACE1KCNH2LMNAKDM4E

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 CHEK1 4339/4885BACE1 2072/4885PDGFRB 2091/4885

“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.