SCHEMBL548126

SCHEMBL548126

O=C(Nc1ccc(Oc2cc[n+]([O-])c(C(=O)NCO)c2)cc1)Nc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.56
KDR P35968 3/20 0.48
HDAC3 O15379 4/20 0.42
HDAC4 P56524 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
ABL1 P00519 2/20 0.41
PLK4 O00444 1/20 0.41
CIT O14578 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL549150 0.89 RAF1 (0.56) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL549118 0.89 RAF1 (0.65) RAF1KDRMEN1KMT2AMAPT
SCHEMBL548196 0.87 RAF1 (0.55) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL2478377 0.80 RAF1 (0.86) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL29733289 0.78 RAF1 (0.67) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL548256 0.78 RAF1 (0.67) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL14481108 0.76 RAF1 (0.60) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL548163 0.76 RAF1 (0.64) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL14680565 0.75 RAF1 (0.56) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL29523346 0.74 KDR (0.59) RAF1KDRHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181188-B2 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2015-11-10 US claimed
US-20120136157-A1 ARYL UREAS AS KINASE INHIBITORS DUMAS JACQUES (US) 2012-05-31 US claimed
EP-1580188-B9 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-23 EP claimed
US-8110587-B2 Antiinflammatory agents; anticancer agents; osteoporosis BAYER HEALTHCARE LLC (US) 2012-02-07 US claimed
EP-1580188-B1 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2011-10-19 EP claimed
JP-4527401-B2 2010-08-18 JP claimed
EP-1580188-A1 Aryl ureas as kinase inhibitors Bayer Pharmaceuticals Corporation (US) 2005-09-28 EP claimed
JP-2005523278-A 2005-08-04 JP claimed
EP-1474393-A1 ARYL UREAS AS KINASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-11-10 EP claimed
US-20030216446-A1 Aryl ureas as kinase inhibitors BAYER CORPORATION (US) 2003-11-20 US claimed
WO-2003068746-A1 ARYL UREAS AS KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-08-21 WO claimed
US-9181188-B2 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2015-11-10 US disclosed
US-20120136157-A1 ARYL UREAS AS KINASE INHIBITORS DUMAS JACQUES (US) 2012-05-31 US disclosed
EP-1580188-B9 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-23 EP disclosed
US-8110587-B2 Antiinflammatory agents; anticancer agents; osteoporosis BAYER HEALTHCARE LLC (US) 2012-02-07 US disclosed
EP-1580188-B1 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2011-10-19 EP disclosed
EP-1580188-A1 Aryl ureas as kinase inhibitors Bayer Pharmaceuticals Corporation (US) 2005-09-28 EP disclosed
US-20030216446-A1 Aryl ureas as kinase inhibitors BAYER CORPORATION (US) 2003-11-20 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-20030216446-A1 Aryl ureas as kinase inhibitors MAPK1, MAP3K1, MAP3K6 RAF1 47/4885KDR 40/4885HDAC3 2924/4885
US-20120136157-A1 ARYL UREAS AS KINASE INHIBITORS MAPK1, MAP3K1, MAP3K6 RAF1 47/4885KDR 40/4885HDAC3 2924/4885

“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.