SCHEMBL5489684

SCHEMBL5489684

O=CN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 3/20 0.46
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GMNN O75496 1/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
UGT1A1 P22309 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL5493967 0.89 TP53 (0.51) BRAFTP53MAPTKMT2AMEN1
SCHEMBL5494637 0.83 TP53 (0.52) TP53MAPTKMT2AMEN1POLB
SCHEMBL5778499 0.82 TP53 (0.47) TP53MAPTKMT2AMEN1POLB
SCHEMBL9189502 0.80 MAPT (0.72) BRAFTP53MAPTKMT2AMEN1
SCHEMBL5777684 0.80 TP53 (0.47) BRAFTP53MAPTKMT2AMEN1
SCHEMBL5142340 0.78 MAPT (0.58) BRAFTP53MAPTKMT2AMEN1
SCHEMBL5489392 0.77 MAPT (0.43) BRAFTP53MAPTKMT2AMEN1
SCHEMBL5489677 0.76 TP53 (0.51) TP53POLBRAB9ALMNA
SCHEMBL5778417 0.76 CCR2 (0.57) TP53MAPTKMT2AMEN1POLB
SCHEMBL5495090 0.76 MAPT (0.52) TP53MAPTPOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BRAF 1333/4885TP53 3234/4885MAPT 2283/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 BRAF 1597/4885TP53 3229/4885MAPT 1663/4885

“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.