SCHEMBL5493967

SCHEMBL5493967

O=CN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2nccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
KDR P35968 3/20 0.46
MAPK14 Q16539 3/20 0.46
BRAF P15056 3/20 0.46
CSF1R P07333 2/20 0.46
PLK4 O00444 1/20 0.46
ROCK2 O75116 1/20 0.46
PRKCG P05129 1/20 0.46
LCK P06239 1/20 0.46
LYN P07948 1/20 0.46
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
RPS6KB1 P23443 1/20 0.46
EPHA2 P29317 1/20 0.46
FLT4 P35916 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL5489684 0.89 BRAF (0.49) TP53RAB9APOLBKDRMAPK14
SCHEMBL5489392 0.88 MAPT (0.43) TP53RAB9APOLBKDRBRAF
SCHEMBL5494637 0.85 TP53 (0.52) TP53RAB9APOLBCSF1RMAPT
SCHEMBL5487630 0.84 HTT (0.47) TP53RAB9APOLBKDRBRAF
SCHEMBL5778499 0.83 TP53 (0.47) TP53RAB9APOLBCSF1RMAPT
SCHEMBL5777684 0.83 TP53 (0.47) TP53RAB9APOLBKDRMAPK14
SCHEMBL5487600 0.79 HDAC6 (0.46) TP53RAB9APOLBAURKBMAPT
SCHEMBL5778417 0.77 CCR2 (0.57) TP53RAB9APOLBKDRMAPT
SCHEMBL5495090 0.77 MAPT (0.52) TP53RAB9APOLBMAPTLMNA
SCHEMBL5492664 0.77 CNR1 (0.45) TP53RAB9APOLBPDGFRBPDGFRA

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 10 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
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
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
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP 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

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 TP53 3234/4885RAB9A 3267/4885POLB 3025/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 TP53 3229/4885RAB9A 3249/4885POLB 3224/4885

“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.