SCHEMBL6584549

SCHEMBL6584549

Cc1ccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)ccn3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.60
BRAF P15056 4/20 0.60
TP53 P04637 3/20 0.59
RAF1 P04049 8/20 0.58
MAPK14 Q16539 5/20 0.57
RIPK2 O43353 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK13 O15264 3/20 0.52
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
PDGFRA P16234 1/20 0.51
GBA1 P04062 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.50
TNNI3K Q59H18 1/20 0.50

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
SCHEMBL177881 0.93 RAB9A (0.59) KDRBRAFTP53MAPK14NPC1
SCHEMBL5006751 0.91 RAF1 (0.63) KDRBRAFTP53RAF1MAPK14
SCHEMBL5008981 0.91 RAF1 (0.71) KDRBRAFTP53RAF1MAPK14
SCHEMBL177679 0.89 KDR (0.59) KDRBRAFTP53RAF1MAPK14
SCHEMBL4169778 0.87 RAB9A (0.70) KDRBRAFTP53MAPK14NPC1
SCHEMBL1381739 0.85 KDR (0.60) KDRBRAFTP53RAF1MAPK14
SCHEMBL177853 0.81 RAB9A (0.69) KDRBRAFTP53RAF1MAPK14
SCHEMBL8341660 0.78 RAB9A (0.81) TP53NPC1RAB9ASMN1; SMN2GBA1
SCHEMBL257978 0.76 RAF1 (0.65) TP53RAF1MAPK14NPC1RAB9A
SCHEMBL5006752 0.76 MAPK14 (0.57) KDRBRAFTP53RAF1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379505-A2 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS Bayer Corporation (US) 2004-01-14 EP claimed
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION 2003-11-06 US claimed
WO-2002085857-A2 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION (US) 2002-10-31 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BRAF, RAF1, ARAF KDR 1420/4885BRAF 1/4885TP53 130/4885

“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.