SCHEMBL5227880

SCHEMBL5227880

CC1(C)COC(c2ccncc2)=N1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
HRH3 Q9Y5N1 4/20 0.51
CYP2D6 P10635 1/20 0.51
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL471858 0.88 KDM4E (0.60) KDM4EHRH3CYP2D6LMNAMAPT
Hydrochloric Acid SCHEMBL4777694 0.83 KDM4E (0.56) KDM4EHRH3CYP2D6LMNAMAPT
SCHEMBL342910 0.82 KDM4E (0.59) KDM4EHRH3CYP2D6LMNAMAPT
SCHEMBL20409590 0.81 KDM4E (0.53) KDM4EHRH3CYP2D6LMNAMAPT
Hydrochloric Acid SCHEMBL11553058 0.81 KDM4E (0.58) KDM4EHRH3CYP2D6LMNAMAPT
SCHEMBL3942245 0.81 KDM4E (0.53) KDM4EHRH3CYP2D6LMNAMAPT
SCHEMBL15843208 0.80 KDM4E (0.49) KDM4EHRH3CYP2D6LMNAMAPT
SCHEMBL5378874 0.80 KIF11 (0.42) KDM4EHRH3CYP2D6LMNAMAPT
SCHEMBL4462971 0.79 KDM4E (0.55) KDM4EHRH3CYP2D6LMNAMAPT
Hydrochloric Acid SCHEMBL4777692 0.79 KDM4E (0.56) KDM4EHRH3CYP2D6LMNAMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241763-B2 3-furanyl analogs of toxoflavine as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
EP-1523485-B1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-14 EP disclosed
US-20060040943-A1 3-Furanyl analogs of toxoflavine as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-23 US disclosed
EP-1523485-A1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-20 EP disclosed
WO-2004007499-A1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-22 WO disclosed
US-5369084-A Isonicotinic acid derivatives and related spiro compounds with herbicidal action JANSSEN PHARMACEUTICAL N.V. (BE) 1994-11-29 US disclosed
EP-0558521-A1 ISONICOTINIC ACID DERIVATIVES AND RELATED SPIRO COMPOUNDS WITH HERBICIDAL ACTION JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-08 EP disclosed
CN-1062530-A Isonicotinic acid derivatives and corresponding spirocyclic compound thereof with herbicide effect JANSSEN PHARMACEUTICA NV (BE) 1992-07-08 CN disclosed
WO-1992009577-A1 ISONICOTINIC ACID DERIVATIVES AND RELATED SPIRO COMPOUNDS WITH HERBICIDAL ACTION JANSSEN PHARMACEUTICA N.V. (BE) 1992-06-11 WO 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-20060040943-A1 3-Furanyl analogs of toxoflavine as kinase inhibitors GRK3, GRK4, GRK6 KDM4E 1876/4885HRH3 272/4885CYP2D6 317/4885

“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.