SCHEMBL5787461

SCHEMBL5787461

COc1cc2c(c3c1OC(C)(C)C3)C(c1cccnc1)=NC(C)(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
SLC2A1 P11166 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PDE10A Q9Y233 3/20 0.34
PDE3A Q14432 2/20 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
Hydrochloric Acid SCHEMBL5785597 0.94 PDGFRB (0.36) CHEK1PDGFRBPDGFRASLC2A1CYP19A1
SCHEMBL5785405 0.94 CHEK1 (0.41) CHEK1PDGFRBPDGFRASLC2A1CYP19A1
SCHEMBL5785757 0.88 KDM4E (0.41) PDGFRBSLC2A1KDM4ESMN1; SMN2LMNA
SCHEMBL5786837 0.88 LMNA (0.39) CHEK1SLC2A1KDM4ESMN1; SMN2LMNA
SCHEMBL5784063 0.87 BACE1 (0.36) CHEK1SLC2A1KDM4ESMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL5785277 0.87 LMNA (0.31) CHEK1SLC2A1KDM4ESMN1; SMN2LMNA
SCHEMBL5787698 0.86 KDM4E (0.35) CHEK1PDGFRBPDGFRASLC2A1KDM4E
Hydrochloric Acid SCHEMBL5783810 0.85 PDE4B (0.39) KDM4ESMN1; SMN2LMNATP53HPGD
SCHEMBL5787614 0.84 KDM4E (0.38) SLC2A1KDM4ESMN1; SMN2LMNATP53
Hydrochloric Acid SCHEMBL5782174 0.84 KDM4E (0.35) PDGFRBPDGFRASLC2A1KDM4ESMN1; 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 CHEK1 4339/4885PDGFRB 2091/4885PDGFRA 2873/4885

“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.