SCHEMBL5787698

SCHEMBL5787698

COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(-c3ccncc3)c1)=NC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC2A1 P11166 1/20 0.33
PDE4D Q08499 3/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 1/20 0.32
NTSR1 P30989 1/20 0.32
PDE4B Q07343 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
CHEK1 O14757 1/20 0.31
KMT2A Q03164 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
BACE1 P56817 1/20 0.30
KCNH2 Q12809 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
SCHEMBL5787614 0.93 KDM4E (0.38) KDM4ELMNATP53HPGDSMN1; SMN2
SCHEMBL5784435 0.92 SLC2A1 (0.36) KDM4ELMNATP53HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL5782174 0.91 KDM4E (0.35) KDM4ELMNATP53HPGDSMN1; SMN2
SCHEMBL5785405 0.90 CHEK1 (0.41) KDM4ELMNATP53HPGDSMN1; SMN2
SCHEMBL5788007 0.90 GRM2 (0.36) LMNAHPGDPKMMAPTALDH1A1
SCHEMBL5784063 0.89 BACE1 (0.36) KDM4ELMNATP53HPGDSMN1; SMN2
SCHEMBL5785466 0.89 KDM4E (0.34) KDM4ELMNATP53HPGDSMN1; SMN2
SCHEMBL5785307 0.88 KDM4E (0.35) KDM4ELMNATP53HPGDSMN1; SMN2
SCHEMBL5788762 0.88 BUB1 (0.33)
Hydrochloric Acid SCHEMBL5787494 0.87 KDM4E (0.34) KDM4ELMNATP53HPGDSMN1; 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 KDM4E 300/4885LMNA 4533/4885TP53 3833/4885

“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.