SCHEMBL5787987

SCHEMBL5787987

COc1cc2c(c3c1OC(C)(C)C3)C(c1ccc3cccnc3c1)=NC(C)(C)C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
PDE4D Q08499 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SLC2A1 P11166 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SYK P43405 1/20 0.31
FASN P49327 1/20 0.31
UTRN P46939 2/20 0.30
MAPT P10636 1/20 0.30
NTSR1 P30989 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
Hydrochloric Acid SCHEMBL5787518 0.92 PDGFRB (0.38) PDGFRBPDGFRAKDM4ESMN1; SMN2TP53
Hydrochloric Acid SCHEMBL5784017 0.87 KDM4E (0.41) KDM4ESMN1; SMN2TP53LMNAHPGD
SCHEMBL5786161 0.84 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2TP53LMNAHPGD
SCHEMBL5785584 0.83 HPGD (0.36) KDM4ESMN1; SMN2TP53LMNAHPGD
SCHEMBL5782315 0.82 KDM4E (0.39) PDGFRBPDGFRAKDM4ESMN1; SMN2TP53
SCHEMBL5785757 0.82 KDM4E (0.41) PDGFRBKDM4ESMN1; SMN2TP53LMNA
SCHEMBL5787461 0.82 CHEK1 (0.37) PDGFRBPDGFRAKDM4ESMN1; SMN2TP53
SCHEMBL5784366 0.81 SMN1; SMN2 (0.35) KDM4ESMN1; SMN2TP53LMNAHPGD
Hydrochloric Acid SCHEMBL5783013 0.81 KDM4E (0.40) PDGFRBKDM4ESMN1; SMN2TP53LMNA
SCHEMBL5784435 0.81 SLC2A1 (0.36) PDGFRBPDGFRAKDM4ESMN1; SMN2TP53

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 PDGFRB 2091/4885PDGFRA 2873/4885KDM4E 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.