SCHEMBL4855967

SCHEMBL4855967

NC(=O)c1cc(Oc2ccc(F)cc2F)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.50
SCN4A P35499 1/20 0.48
PARP10 Q53GL7 1/20 0.46
KEAP1 Q14145 1/20 0.45
GCK P35557 1/20 0.44
BRD4 O60885 2/20 0.43
AR P10275 1/20 0.42
BRAF P15056 2/20 0.42
HDAC1 Q13547 2/20 0.42
MET P08581 4/20 0.41
MAPK14 Q16539 2/20 0.41
PNLIP P16233 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL13715139 0.89 KEAP1 (0.61) HSPB1SCN4AKEAP1GCKAR
SCHEMBL4857147 0.80 HSPB1 (0.58) HSPB1SCN4ABRD4ALDH1A1
SCHEMBL25328315 0.79 NR4A1 (0.52) PARP10BRAFHDAC1ALDH1A1HDAC3
SCHEMBL31151866 0.79 NR4A1 (0.52) PARP10BRAFHDAC1ALDH1A1HDAC3
SCHEMBL20154948 0.78 EPAS1 (0.46) HSPB1SCN4AKEAP1BRD4ALDH1A1
SCHEMBL183930 0.78 KEAP1 (0.70) KEAP1HDAC1ALDH1A1HDAC6
SCHEMBL31230207 0.78 KEAP1 (0.70) KEAP1HDAC1ALDH1A1HDAC6
Hydrochloric Acid SCHEMBL4362930 0.76 KEAP1 (0.68) KEAP1HDAC1ALDH1A1HDAC6
SCHEMBL9656997 0.75 BRD4 (0.47) HSPB1SCN4APARP10BRD4AR
SCHEMBL13743676 0.75 HSPB1 (0.51) HSPB1SCN4AARMETMAPK14

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 HSPB1 953/4885SCN4A 1570/4885PARP10 3376/4885
US-20040209904-A1 Substituted quinazoline compounds useful as P38 kinase inhibitors MAPK1, MAPK4, MAPK7 HSPB1 638/4885SCN4A 1049/4885PARP10 3255/4885

“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.