SCHEMBL5076111

SCHEMBL5076111

O=C(CO)N1CCN(Cc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.66
KDR P35968 4/20 0.57

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
SCHEMBL5082483 0.91 CHEK1 (0.70) CHEK1KDR
SCHEMBL5076112 0.89 CHEK1 (0.71) CHEK1KDR
SCHEMBL143389 0.89 CHEK1 (0.69) CHEK1KDR
SCHEMBL5076105 0.87 CHEK1 (0.65) CHEK1KDR
SCHEMBL5078790 0.86 CHEK1 (0.67) CHEK1KDR
SCHEMBL144982 0.85 CHEK1 (0.76) CHEK1KDR
SCHEMBL144227 0.85 CHEK1 (0.69) CHEK1KDR
SCHEMBL5079333 0.85 CHEK1 (0.64) CHEK1KDR
SCHEMBL6313924 0.84 CHEK1 (0.78) CHEK1KDR
SCHEMBL5082518 0.84 CHEK1 (0.66) CHEK1KDR

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328519-B1 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO INC (US) 2005-09-07 EP claimed
EP-1328519-A4 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO INC (US) 2004-12-15 EP claimed
US-20040002501-A1 Orally active salts with tyrosine kinase activity FRALEY MARK E (US) 2004-01-01 US claimed
EP-1328519-A2 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY Merck & Co., Inc. (US) 2003-07-23 EP claimed
US-20020072526-A1 Orally active salts with tyrosine kinase activity MERCK & CO., INC. 2002-06-13 US claimed
WO-2002032861-A2 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO., INC. (US) 2002-04-25 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
EP-1496982-A4 SOLID FORMS OF SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO INC (US) 2006-07-19 EP disclosed
US-6656942-B2 For therapy of diseases such as angio-genesis, cancer, tumor growth, atherosclerosis, age related macular degeneration, diabetic retinopathy, inflammatory diseases, and the like in mammals MERCK & CO., INC. 2003-12-02 US disclosed
EP-1496982-A2 SOLID FORMS OF SALTS WITH TYROSINE KINASE ACTIVITY Merck & Co., Inc. (US) 2003-10-30 EP disclosed
WO-2003088900-A2 SOLID FORMS OF SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO., INC. (US) 2003-10-30 WO disclosed
EP-1328519-A2 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY Merck & Co., Inc. (US) 2003-07-23 EP disclosed
US-20020072526-A1 Orally active salts with tyrosine kinase activity MERCK & CO., INC. 2002-06-13 US disclosed
WO-2002032861-A2 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO., INC. (US) 2002-04-25 WO 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

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-20040002501-A1 Orally active salts with tyrosine kinase activity TEK, FLT1, TIE1 CHEK1 989/4885KDR 5/4885
US-20020072526-A1 Orally active salts with tyrosine kinase activity TEK, FLT1, TIE1 CHEK1 989/4885KDR 5/4885
US-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CHEK1 499/4885KDR 5/4885

“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.