SCHEMBL5261995

SCHEMBL5261995

COC(=O)c1cc(Oc2ccc(F)cc2F)ncc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 5/20 0.56
▸ MAPT P10636 2/20 0.43
▸ PIN1 Q13526 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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 0.90 HSPB1 (0.48) HSPB1MAPTPIN1KDM4ESCN9A
SCHEMBL11942099 0.82 HSPB1 (0.42) HSPB1MAPTPIN1TDP1L3MBTL1
SCHEMBL5258681 0.81 HSPB1 (0.45) HSPB1MAPTKDM4ESCN9AALDH1A1
SCHEMBL4851442 0.81 TDP1 (0.65) HSPB1MAPTTDP1L3MBTL1ATM
SCHEMBL15770914 0.79 HSPB1 (0.51) HSPB1MAPTTDP1L3MBTL1ATM
SCHEMBL16692791 0.78 POLB (0.44) MAPTTDP1KDM4EL3MBTL1ALDH1A1
SCHEMBL29043661 0.78 ALDH1A1 (0.48) MAPTPIN1TDP1ALDH1A1HPGD
SCHEMBL31371566 0.77 HSPB1 (0.52) HSPB1MAPTTDP1L3MBTL1ATM
SCHEMBL28402286 0.76 PDGFRB (0.45) MAPTTDP1KDM4EALDH1A1HPGD
SCHEMBL15067957 0.75 HSPB1 (0.47) HSPB1MAPTTDP1L3MBTL1ATM

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-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
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 2421/4885MAPT 4184/4885PIN1 3179/4885
US-20040209903-A1 Substituted 7-azaquinazoline compounds useful as p38 kinase inhibitors MAPK1, MAPK7, MAPK6 HSPB1 1468/4885MAPT 4240/4885PIN1 3070/4885

“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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