SCHEMBL5789396

SCHEMBL5789396

COc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(F)cc1)=NC(C)(C)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.37
SLC2A1 P11166 1/20 0.35
KDM4E B2RXH2 6/20 0.35
TP53 P04637 3/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR4 Q5NUL3 4/20 0.35
MAPT P10636 3/20 0.34
NTSR1 P30989 1/20 0.34
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 5/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
MITF O75030 1/20 0.32
TSHR P16473 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
MEN1 O00255 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
SCHEMBL5785304 0.90 KDM4E (0.40) SLC2A1KDM4ETP53HPGDLMNA
SCHEMBL5783871 0.90 SLC2A1 (0.36) SLC2A1KDM4ETP53HPGDLMNA
Hydrochloric Acid SCHEMBL5785322 0.89 KDM4E (0.36) SLC2A1KDM4ETP53HPGDLMNA
SCHEMBL5783700 0.89 CYP1A2 (0.36) SLC2A1KDM4ETP53HPGDLMNA
SCHEMBL5781893 0.89 SLC2A1 (0.35) SLC2A1KDM4ETP53HPGDLMNA
SCHEMBL5785621 0.89 TP53 (0.37) SLC2A1KDM4ETP53HPGDLMNA
SCHEMBL5782315 0.89 KDM4E (0.39) MAPK10SLC2A1KDM4ETP53HPGD
SCHEMBL5785757 0.89 KDM4E (0.41) MAPK10SLC2A1KDM4ETP53HPGD
SCHEMBL5789376 0.89 CTSA (0.36) SLC2A1KDM4ETP53HPGDLMNA
SCHEMBL5784435 0.88 SLC2A1 (0.36) SLC2A1KDM4ETP53HPGDLMNA

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 MAPK10 685/4885SLC2A1 2034/4885KDM4E 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.