SCHEMBL4871472

SCHEMBL4871472

COc1ccc(-c2cnc(-c3cccnc3)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
ALDH1A1 P00352 4/20 1.00
HPGD P15428 4/20 1.00
NPC1 O15118 7/20 0.70
RAB9A P51151 7/20 0.70
HSD17B10 Q99714 3/20 0.70
CYP1A2 P05177 2/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2C19 P33261 2/20 0.68
MAPT P10636 2/20 0.56
PTPN1 P18031 3/20 0.55
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
CYP17A1 P05093 2/20 0.51
CYP11B2 P19099 2/20 0.51
CYP19A1 P11511 2/20 0.51
CYP11B1 P15538 1/20 0.51
MAPK1 P28482 1/20 0.49

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
SCHEMBL4880206 0.94 KDM4E (0.89) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL4875222 0.85 TSHR (0.74) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL10909733 0.85 TSHR (0.74) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL1180905 0.85 KDM4E (0.72) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL7078511 0.84 KDM4E (0.72) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL2603426 0.84 KDM4E (0.72) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL4884059 0.83 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL4881571 0.83 RAB9A (1.00) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL1180099 0.81 KDM4E (0.68) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL5836646 0.81 KDM4E (0.68) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US claimed
US-10252984-B2 Inhibiting G protein coupled receptor 6 kinase polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2019-04-09 US disclosed
US-20140309185-A1 Inhibiting G Protein Coupled Receptor 6 Kinase Polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2014-10-16 US disclosed
US-20140309185-A1 Inhibiting G Protein Coupled Receptor 6 Kinase Polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2014-10-16 US disclosed
WO-2013063458-A2 INHIBITING G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-05-02 WO disclosed
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO disclosed
US-4506368-A PHOTOSTABILITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1985-03-19 US 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 (3 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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK KDM4E 2869/4885SMN1; SMN2 4756/4885ALDH1A1 404/4885
US-20140309185-A1 Inhibiting G Protein Coupled Receptor 6 Kinase Polypeptides GRK6, GRK2, GRK3 KDM4E 4504/4885SMN1; SMN2 4298/4885ALDH1A1 4731/4885
US-10252984-B2 Inhibiting G protein coupled receptor 6 kinase polypeptides GRK6, GRK2, GRK3 KDM4E 4504/4885SMN1; SMN2 4298/4885ALDH1A1 4731/4885

“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.