SCHEMBL4852768

SCHEMBL4852768

Nc1nc(Cl)nc2ccc(Oc3ccc(F)cc3F)cc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
MAP4K4 O95819 1/20 0.45
GCK P35557 1/20 0.41
MAPK14 Q16539 3/20 0.41
TRPA1 O75762 4/20 0.40
HSPB1 P04792 1/20 0.40
AR P10275 1/20 0.39
PPARG P37231 1/20 0.38
ACHE P22303 4/20 0.37
BCHE P06276 3/20 0.37
SCN4A P35499 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL4859574 0.87 GCK (0.43) MAP4K4GCKMAPK14TRPA1HSPB1
SCHEMBL8900878 0.80 HTT (0.64) HTTMAP4K4ACHEBCHEGRIN1
SCHEMBL29663483 0.80 HTT (0.64) HTTMAP4K4ACHEBCHEGRIN1
SCHEMBL5256361 0.80 MAP4K4 (0.49) HTTMAP4K4MAPK14TRPA1HSPB1
SCHEMBL4849482 0.76 TRPA1 (0.44) MAP4K4GCKMAPK14TRPA1HSPB1
SCHEMBL8900322 0.73 HTT (0.58) HTTACHEBCHEGRIN1GRIN2A
SCHEMBL21186019 0.71 AXL (0.63) HTTMAP4K4HSPB1SCN4A
SCHEMBL29224064 0.71 HTT (0.50) HTTMAP4K4ACHEBCHEGRIN1
SCHEMBL3720623 0.70 HTT (0.54) HTTMAP4K4ACHEBCHE
SCHEMBL18646614 0.69 HSPB1 (0.58) HSPB1ARSCN4A

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 HTT 4013/4885MAP4K4 38/4885GCK 651/4885
US-20040209904-A1 Substituted quinazoline compounds useful as P38 kinase inhibitors MAPK1, MAPK4, MAPK7 HTT 4558/4885MAP4K4 31/4885GCK 578/4885

“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.