SCHEMBL172902

SCHEMBL172902

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

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.67
KDR P35968 5/20 0.59

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
Hydrochloric Acid SCHEMBL5677881 0.99 CHEK1 (0.66) CHEK1KDR
SCHEMBL5079425 0.96 CHEK1 (0.62) CHEK1KDR
SCHEMBL142580 0.94 CHEK1 (0.59) CHEK1KDR
Tert-Butyl Formate SCHEMBL27486793 0.91 CHEK1 (0.57) CHEK1KDR
SCHEMBL146796 0.90 KDR (0.60) CHEK1KDR
SCHEMBL5078750 0.88 CHEK1 (0.67) CHEK1KDR
SCHEMBL5141218 0.86 CHEK1 (0.73) CHEK1KDR
SCHEMBL144982 0.86 CHEK1 (0.76) CHEK1KDR
SCHEMBL6313924 0.85 CHEK1 (0.78) CHEK1KDR
SCHEMBL146578 0.85 CHEK1 (0.61) 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 94 patents — showing the first 20. 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-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US claimed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP claimed
EP-1496982-A4 SOLID FORMS OF SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO INC (US) 2006-07-19 EP claimed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 WO claimed
US-20060093666-A1 Formulations for tyrosine kinase inhibitors MERCK & CO., INC. 2006-05-04 US claimed
EP-1610614-A2 FORMULATIONS FOR TYROSINE KINASE INHIBITORS Merck & Co. Inc. (US) 2006-01-04 EP claimed
US-6960590-B2 Orally active salts with tyrosine kinase activity MERCK & CO. INC. (US) 2005-11-01 US claimed
EP-1328519-B1 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO INC (US) 2005-09-07 EP claimed
US-20050113577-A1 Solid forms of slats with tyrosine kinase activity KARKI SHYAM B (US) 2005-05-26 US claimed
EP-1328519-A4 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO INC (US) 2004-12-15 EP claimed
WO-2004087651-A2 FORMULATIONS FOR TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2004-10-14 WO claimed
US-20040002501-A1 Orally active salts with tyrosine kinase activity FRALEY MARK E (US) 2004-01-01 US claimed
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 claimed
EP-1496982-A2 SOLID FORMS OF SALTS WITH TYROSINE KINASE ACTIVITY Merck & Co., Inc. (US) 2003-10-30 EP claimed
WO-2003088900-A2 SOLID FORMS OF SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO., INC. (US) 2003-10-30 WO 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20060093666-A1 Formulations for tyrosine kinase inhibitors ABL1, ERBB2, JAK1 CHEK1 554/4885KDR 765/4885
US-20040002501-A1 Orally active salts with tyrosine kinase activity TEK, FLT1, TIE1 CHEK1 989/4885KDR 5/4885
US-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN CHEK1 815/4885KDR 1592/4885
US-20020072526-A1 Orally active salts with tyrosine kinase activity TEK, FLT1, TIE1 CHEK1 989/4885KDR 5/4885
US-20050113577-A1 Solid forms of slats with tyrosine kinase activity ROS1, MERTK, LYN CHEK1 566/4885KDR 30/4885
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.