SCHEMBL5082487

SCHEMBL5082487

O=C(O)C1CCN(CCOc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1

nearest known ligand 0.91

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.91
LTA4H P09960 2/20 0.62
PDGFRB P09619 2/20 0.55
PDGFRA P16234 2/20 0.55
CHEK1 O14757 2/20 0.52
AURKA O14965 3/20 0.50
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50

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
SCHEMBL5082491 0.95 KDR (1.00) KDRLTA4HPDGFRBPDGFRACHEK1
SCHEMBL14012816 0.90 KDR (0.75) KDRLTA4HPDGFRBPDGFRACHEK1
SCHEMBL6912244 0.90 KDR (0.75) KDRLTA4HPDGFRBPDGFRACHEK1
SCHEMBL5079400 0.90 KDR (0.74) KDRLTA4HPDGFRBPDGFRACHEK1
SCHEMBL5078027 0.89 KDR (0.73) KDRLTA4HPDGFRBPDGFRACHEK1
SCHEMBL5076128 0.87 KDR (0.77) KDRPDGFRBPDGFRACHEK1AURKA
SCHEMBL5078012 0.86 KDR (0.98) KDRLTA4HPDGFRBPDGFRACHEK1
SCHEMBL5078761 0.86 KDR (1.00) KDRLTA4HPDGFRBPDGFRACHEK1
SCHEMBL5079406 0.86 KDR (1.00) KDRLTA4HPDGFRBPDGFRACHEK1
SCHEMBL5079399 0.85 KDR (0.75) KDRLTA4HPDGFRBPDGFRACHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US claimed
US-20050096344-A1 Tyrosine kinase inhibitors FRALEY MARK E (US) 2005-05-05 US claimed
EP-1226136-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2004-12-29 EP claimed
EP-1226136-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-31 EP claimed
US-6306874-B1 ENZYME INHIBITORS SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, AND THE LIKE IN MAMMALS. MERCK & CO., INC. 2001-10-23 US claimed
WO-2001029025-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-04-26 WO claimed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-20050096344-A1 Tyrosine kinase inhibitors FRALEY MARK E (US) 2005-05-05 US disclosed
EP-1226136-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2004-12-29 EP disclosed
US-20040235826-A1 Tyrosine kinase ihnibitors MERCK SHARP & DOHME CORP. 2004-11-25 US disclosed
US-6794393-B1 inhibitors of VEGF; angiogenesis, cancer, tumor growth, atherosclerosis, age related macular degeneration, diabetic retinopathy, inflammatory diseases; 1H-indole compounds having a fused nitrogen heterocycle amide in the 2-position MERCK & CO., INC. 2004-09-21 US disclosed
WO-2003020699-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 WO disclosed
EP-1226136-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-31 EP disclosed
US-6306874-B1 ENZYME INHIBITORS SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, AND THE LIKE IN MAMMALS. MERCK & CO., INC. 2001-10-23 US disclosed
WO-2001029025-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-04-26 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 (3 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-20040235826-A1 Tyrosine kinase ihnibitors KDR, FLT4, ERBB2 KDR 1/4885LTA4H 1898/4885PDGFRB 102/4885
US-20050096344-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885LTA4H 2017/4885PDGFRB 88/4885
US-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885LTA4H 2017/4885PDGFRB 88/4885

“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.