SCHEMBL5258681

SCHEMBL5258681

COC(=O)c1cc(Oc2ccc(F)cc2F)ncc1N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ CARM1 Q86X55 2/20 0.41
▸ MET P08581 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TRPA1 O75762 2/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ RXRB P28702 1/20 0.39
▸ MAPK10 P53779 1/20 0.39

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
SCHEMBL14621420 0.82 HSPB1 (0.48) HSPB1KDM4ECARM1MAPTMEN1
SCHEMBL5261995 0.81 HSPB1 (0.56) HSPB1KDM4EALDH1A1MAPTSCN9A
SCHEMBL23781876 0.80 MAP4K4 (0.51) HSPB1KDM4EMAP4K4CARM1MET
SCHEMBL1797972 0.79 HSPB1 (0.54) HSPB1KDM4EMAPT
SCHEMBL21906327 0.79 HSPB1 (0.51) HSPB1KDM4ECARM1METMAPT
SCHEMBL15067206 0.77 KDM4E (0.48) KDM4EALDH1A1GLAGAACARM1
SCHEMBL29043665 0.76 ALDH1A1 (0.58) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL31582715 0.75 KDM4E (0.54) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL15359911 0.75 KDM4E (0.54) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL31371422 0.75 BRD4 (0.43) KDM4EALDH1A1GLAGAACARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135459-A1 Substituted 7-aza-quinazoline compounds useful as p38 kinase inhibitors DEWDNEY NOLAN J 2007-06-14 — — US disclosed
US-20070135459-A1 Substituted 7-aza-quinazoline compounds useful as p38 kinase inhibitors DEWDNEY NOLAN J 2007-06-14 — — US disclosed
US-20070135459-A1 Substituted 7-aza-quinazoline compounds useful as p38 kinase inhibitors DEWDNEY NOLAN J 2007-06-14 — — US disclosed
US-7189731-B2 Substituted 7-azaquinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2007-03-13 — — US disclosed
US-7189731-B2 Substituted 7-azaquinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2007-03-13 — — US disclosed
US-7189731-B2 Substituted 7-azaquinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2007-03-13 — — US disclosed
EP-1620105-B1 (6-(PHENOXY)-PYRIDO¬3,4-D|PYRIMIDIN-2-YL)-AMINE DERIVATIVES AS P38 KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY CONDITIONS SUCH AS RHEUMATOID ARTHRITIS HOFFMANN LA ROCHE (CH) 2007-01-10 — — EP disclosed
EP-1620105-B1 (6-(PHENOXY)-PYRIDO¬3,4-D|PYRIMIDIN-2-YL)-AMINE DERIVATIVES AS P38 KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY CONDITIONS SUCH AS RHEUMATOID ARTHRITIS HOFFMANN LA ROCHE (CH) 2007-01-10 — — EP disclosed
EP-1620105-A1 (6-(PHENOXY)-PYRIDO[3,4-D]PYRIMIDIN-2-YL)-AMINE DERIVATIVES AS P38 KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY CONDITIONS SUCH AS RHEUMATOID ARTHRITIS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-01 — — EP disclosed
WO-2004091625-A1 (6-(PHENOXY)-PYRIDO`3,4-D! PYRIMIDIN-2-YL)-AMINE DERIVATIVES AS P38 KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORYY CONDITIONS SUCH AS RHEUMATOIS ARTRITIS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-28 — — WO disclosed
US-20040209903-A1 Substituted 7-azaquinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC 2004-10-21 — — 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 (2 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-20070135459-A1 Substituted 7-aza-quinazoline compounds useful as p38 kinase inhibitors MAPK7, MAPK1, MAPK8 HSPB1 2421/4885KDM4E 924/4885ALDH1A1 3158/4885
US-20040209903-A1 Substituted 7-azaquinazoline compounds useful as p38 kinase inhibitors MAPK1, MAPK7, MAPK6 HSPB1 1468/4885KDM4E 1259/4885ALDH1A1 2950/4885

“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.

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