SCHEMBL6743304

SCHEMBL6743304

CC(=O)Nc1oc(-c2c(O)ccc3ccccc23)nc1-c1ccsc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.56
FLT4 P35916 2/20 0.51
FLT1 P17948 1/20 0.51
ALOX15 P16050 1/20 0.41
NQO2 P16083 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK2A1 P68400 1/20 0.37
DYRK1A Q13627 1/20 0.37
AURKB Q96GD4 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
TOP2A P11388 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7744158 0.87 KDR (0.43) KDRFLT4FLT1NQO2ADORA2A
SCHEMBL7739093 0.87 KDR (0.66) KDRFLT4FLT1ALOX15ADORA2A
SCHEMBL7981125 0.82 KDR (0.55) KDRFLT4FLT1ALOX15ADORA3
SCHEMBL7981129 0.82 KDR (0.55) KDRFLT4FLT1ALOX15ADORA3
SCHEMBL7979692 0.77 KDR (0.54) KDRFLT4FLT1ALOX15ADORA3
SCHEMBL7744772 0.75 KDR (0.61) KDRFLT4FLT1ALOX15ADORA3
SCHEMBL7982719 0.75 KDR (0.53) KDRFLT4FLT1ALOX15ADORA3
SCHEMBL7982851 0.74 KDR (0.52) KDRFLT4FLT1ALOX15ADORA3
SCHEMBL7744191 0.74 KDR (0.48) KDRFLT4FLT1KMT2AMEN1
SCHEMBL7980284 0.73 KDR (0.51) KDRFLT4FLT1ADORA3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US claimed
US-6693134-B2 ANTAGONIZING CHEMOKINE RECEPTORS BY ADMINISTERING 3-OXY-2-NAPHTHOIC ACID DERIVATIVES CHEMOKINE THERAPEUTICS CORPORATION (CA) 2004-02-17 US disclosed
US-20030045550-A1 Bicyclic aromatic chemokine receptor ligands CHEMOKINE THERAPEUTICS (CA) 2003-03-06 US disclosed
WO-2002096397-A1 BICYCLIC AROMATIC CHEMOKINE RECEPTOR LIGANDS CHEMOKINE THERAPEUTICS CORPORATION (CA) 2002-12-05 WO disclosed
EP-1097147-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1097147-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-05-09 EP disclosed
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US disclosed
WO-2000002871-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-01-20 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 (1 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-20030045550-A1 Bicyclic aromatic chemokine receptor ligands CXCL12, CCR5, CXCR1 KDR 109/4885FLT4 118/4885FLT1 154/4885

“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.