SCHEMBL5489138

SCHEMBL5489138

O=C(NC(=O)c1ccc2nccnc2c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.59
GRM4 Q14833 1/20 0.55
BRAF P15056 3/20 0.52
KIT P10721 3/20 0.52
FLT3 P36888 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAF1 P04049 2/20 0.50
RET P07949 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
PLK4 O00444 1/20 0.50
CIT O14578 1/20 0.50
AURKA O14965 1/20 0.50
MUSK O15146 1/20 0.50
EPHB6 O15197 1/20 0.50
MAPK13 O15264 1/20 0.50
MLNR O43193 1/20 0.50
MAP3K7 O43318 1/20 0.50
RIPK2 O43353 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
SCHEMBL5495737 0.88 CCR2 (0.54) KDRGRM4BRAFMEN1KMT2A
SCHEMBL6181468 0.87 SMN1; SMN2 (0.50) BRAFMEN1KMT2AMAPK1HTT
SCHEMBL15689070 0.87 KDR (0.62) KDRGRM4BRAFKITFLT3
SCHEMBL5489330 0.86 CCR2 (0.58) GRM4MEN1KMT2ACA9MAOA
SCHEMBL29590126 0.84 KDR (0.58) KDRGRM4BRAFMEN1KMT2A
SCHEMBL14783586 0.84 KDR (0.58) KDRGRM4BRAFMEN1KMT2A
SCHEMBL5492280 0.83 SMN1; SMN2 (0.52) BRAFMEN1KMT2AMAPK1HTT
SCHEMBL27509542 0.82 SMN1; SMN2 (0.58) BRAFMEN1KMT2AMAPK1EPHX2
SCHEMBL15689332 0.82 SMN1; SMN2 (0.58) KDRGRM4BRAFMEN1KMT2A
SCHEMBL14783435 0.82 KDR (0.56) KDRGRM4BRAFKITFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US claimed
CN-1259315-C Antagonists of MCP-1 function and methods of use thereof TELIK INC (US) 2006-06-14 CN claimed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US claimed
CN-1494539-A Antagonists of MCP-1 function and methods of use thereof ̩ 2004-05-05 CN claimed
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP claimed
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US claimed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 WO claimed
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
CN-1259315-C Antagonists of MCP-1 function and methods of use thereof TELIK INC (US) 2006-06-14 CN disclosed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US disclosed
US-6809113-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, ATHEROSCLEROSIS, DIABETIC NEPHROPATHY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, MULTIPLE SCLEROSIS, NEPHRITIS, PANCREATITIS, PULMONARY FIBROSIS, PSORIASIS, RESTENOSIS TRANSPLANT REJECTION TELIK, INC. 2004-10-26 US disclosed
CN-1494539-A Antagonists of MCP-1 function and methods of use thereof ̩ 2004-05-05 CN 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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 KDR 990/4885GRM4 2275/4885BRAF 1333/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 KDR 1085/4885GRM4 2490/4885BRAF 1597/4885

“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.