SCHEMBL5078739

SCHEMBL5078739

CS(=O)(=O)N1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.78
CHEK1 O14757 3/20 0.51
MGLL Q99685 2/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL5078878 0.88 KDR (1.00) KDRCHEK1MGLLHPGD
SCHEMBL5076073 0.85 KDR (1.00) KDRCHEK1MGLL
SCHEMBL6912138 0.82 KDR (0.89) KDRCHEK1MGLL
SCHEMBL143265 0.82 KDR (0.88) KDRCHEK1HPGD
SCHEMBL148223 0.80 KDR (0.85) KDRCHEK1MGLL
SCHEMBL172902 0.79 CHEK1 (0.67) KDRCHEK1
SCHEMBL5076120 0.79 KDR (0.80) KDRCHEK1MGLL
Trifluoroacetic Acid SCHEMBL5082484 0.79 KDR (0.87) KDRCHEK1MGLL
Trifluoroacetic Acid SCHEMBL27529820 0.79 KDR (0.71) KDRCHEK1MGLLHPGD
SCHEMBL34468869 0.79 ALDH1A1 (0.61) KDRCA12CA1CA2CA7

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 16 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-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 1/4885CHEK1 955/4885MGLL 2089/4885
US-20050096344-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885MGLL 1678/4885
US-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885MGLL 1678/4885

“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.