SCHEMBL5494637

SCHEMBL5494637

Cc1nc2ccc(N(C=O)C(=O)Nc3cccc(C(F)(F)F)c3)cc2nc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
RAF1 P04049 1/20 0.45
MAPT P10636 4/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
APAF1 O14727 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
ESR2 Q92731 1/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CSF1R P07333 1/20 0.42
GAA P10253 1/20 0.42

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 0.85 TP53 (0.51) TP53POLBRAB9AMAPTKMT2A
SCHEMBL5487253 0.84 KMT2A (0.43) POLBRAB9AMAPTKMT2AMEN1
SCHEMBL6179736 0.84 KMT2A (0.47) TP53POLBRAB9AMAPTKMT2A
SCHEMBL5489684 0.83 BRAF (0.49) TP53POLBRAB9AMAPTKMT2A
SCHEMBL5778499 0.82 TP53 (0.47) TP53POLBRAB9AMAPTKMT2A
SCHEMBL5777684 0.82 TP53 (0.47) TP53POLBRAB9AMAPTKMT2A
SCHEMBL5494434 0.81 NPC1 (0.46) TP53POLBRAB9AMAPTKMT2A
SCHEMBL5781511 0.78 TP53 (0.50) TP53POLBRAB9AMAPTKMT2A
SCHEMBL5489677 0.76 TP53 (0.51) TP53POLBRAB9ALMNA
SCHEMBL5495090 0.76 MAPT (0.52) TP53POLBRAB9AMAPTLMNA

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 11 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
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
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP disclosed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 WO 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 3234/4885POLB 3025/4885RAB9A 3267/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 TP53 3229/4885POLB 3224/4885RAB9A 3249/4885

“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.