SCHEMBL5487911

SCHEMBL5487911

O=C(NC(=O)c1ccc2c(c1)NCCN2)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.57
FLT3 P36888 2/20 0.53
AURKB Q96GD4 1/20 0.53
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 1/20 0.49
RAF1 P04049 2/20 0.48
GRM4 Q14833 1/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
PDK1 Q15118 1/20 0.47
EPHX2 P34913 1/20 0.47
BRAF P15056 2/20 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
SCHEMBL5491199 0.88 CCR2 (0.48) KDRFLT3AURKBRAB9AGRM4
SCHEMBL6180094 0.82 ALDH1A1 (0.50) MAPTRAB9A
SCHEMBL5489352 0.82 CCR2 (0.61) AURKBGAAMAPTRAB9AEPHX2
SCHEMBL5492650 0.81 ALDH1A1 (0.49) MAPTRAB9A
SCHEMBL5489125 0.81 CCR2 (0.49) KDRAURKBMAPTHDAC6HDAC8
SCHEMBL5492637 0.80 CCR2 (0.46) FLT3AURKBMAPTRAB9A
SCHEMBL5489138 0.79 KDR (0.59) KDRFLT3AURKBRAB9ARAF1
SCHEMBL5495759 0.78 CCR2 (0.61) KDRLMNAMAPTRAB9A
SCHEMBL5492511 0.76 KMT2A (0.49) LMNAGAAMAPTRAB9ATRPV1
SCHEMBL20291406 0.76 KDR (0.64) KDRFLT3HDAC6HDAC1HDAC8

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
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US 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
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 KDR 990/4885FLT3 1267/4885AURKB 4151/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 KDR 1085/4885FLT3 1722/4885AURKB 4313/4885

“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.