SCHEMBL4849482

SCHEMBL4849482

Fc1ccc(Oc2ccc3nc(Cl)ncc3c2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.44
HSPB1 P04792 2/20 0.42
MAP4K4 O95819 1/20 0.41
AR P10275 1/20 0.40
GCK P35557 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.39
MAPK14 Q16539 2/20 0.38
HTR2A P28223 2/20 0.37
SLC6A4 P31645 2/20 0.37
KCNH2 Q12809 2/20 0.37
POLB P06746 1/20 0.36
CASP6 P55212 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
SCHEMBL5260515 0.81 HSPB1 (0.46) TRPA1HSPB1MAP4K4KDM4EALDH1A1
SCHEMBL14003166 0.81 MAPK14 (0.55) TRPA1HSPB1MAP4K4GCKPPARG
SCHEMBL446874 0.79 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2
SCHEMBL31637195 0.78 TRPA1 (0.41) TRPA1HSPB1MAP4K4GCKPPARG
SCHEMBL4859574 0.78 GCK (0.43) TRPA1HSPB1MAP4K4ARGCK
SCHEMBL4852768 0.76 HTT (0.47) TRPA1HSPB1MAP4K4ARGCK
SCHEMBL14003196 0.74 MAPK8 (0.59) MAP4K4MAPK14
SCHEMBL4860231 0.73 SCN9A (0.46) TRPA1GCKPPARGMAPK14
SCHEMBL4858175 0.73 MAPK14 (0.60) MAP4K4MAPK14
SCHEMBL4853710 0.72 MAPK14 (0.47) TRPA1GCKPPARGMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456185-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2008-11-25 US disclosed
US-7456185-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2008-11-25 US disclosed
US-7456185-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2008-11-25 US disclosed
US-20070167471-A1 Substituted quinazoline compounds useful as p38 kinase inhibitors DUNN JAMES P 2007-07-19 US disclosed
US-20070167471-A1 Substituted quinazoline compounds useful as p38 kinase inhibitors DUNN JAMES P 2007-07-19 US disclosed
US-20070167471-A1 Substituted quinazoline compounds useful as p38 kinase inhibitors DUNN JAMES P 2007-07-19 US disclosed
US-7238698-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2007-07-03 US disclosed
US-7238698-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2007-07-03 US disclosed
US-7238698-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2007-07-03 US disclosed
EP-1620408-A2 QUINAZOLINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-01 EP disclosed
WO-2004092144-A2 QUINAZOLINE COMPOUNDS USEFUL AS P38 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-28 WO disclosed
US-20040209904-A1 Substituted quinazoline 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-20070167471-A1 Substituted quinazoline compounds useful as p38 kinase inhibitors MAPK1, MAPK7, MAPK3 TRPA1 1846/4885HSPB1 953/4885MAP4K4 38/4885
US-20040209904-A1 Substituted quinazoline compounds useful as P38 kinase inhibitors MAPK1, MAPK4, MAPK7 TRPA1 2092/4885HSPB1 638/4885MAP4K4 31/4885

“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.