SCHEMBL5742011

SCHEMBL5742011

CNC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 1.00
TBK1 Q9UHD2 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
SCHEMBL6897451 0.96 KDR (0.93) KDRTBK1
SCHEMBL6178074 0.91 KDR (1.00) KDRTBK1
SCHEMBL6179134 0.89 KDR (1.00) KDRTBK1
SCHEMBL6177027 0.89 KDR (1.00) KDRTBK1
SCHEMBL6179016 0.88 KDR (1.00) KDRTBK1
SCHEMBL7237182 0.87 KDR (0.84) KDRTBK1
SCHEMBL5745318 0.86 KDR (0.76) KDRTBK1
SCHEMBL5741891 0.85 KDR (0.75) KDR
SCHEMBL5742446 0.85 KDR (0.75) KDR
SCHEMBL5743246 0.84 KDR (0.73) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404672-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-01-18 EP claimed
US-6875767-B2 (5-cyano-2-thiazolyl)amino-4-pyridine tyrosine kinase inhibitors MERCK & CO., INC. (US) 2005-04-05 US claimed
US-6872724-B2 Polymorphs with tyrosine kinase activity MERCK & CO., INC. (US) 2005-03-29 US claimed
EP-1404672-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2004-04-07 EP claimed
US-20040023979-A1 Process for making substituted thiazolyl-amino pyridines ZHAO MATTHEW M (US) 2004-02-05 US claimed
US-20040023981-A1 Salt forms with tyrosine kinase activity REN YU (US) 2004-02-05 US claimed
US-20040023978-A1 Active salt forms with tyrosine kinase activity REN YU 2004-02-05 US claimed
US-20040023980-A1 Polymorphs with tyrosine kinase activity MERCK SHARP & DOHME CORP. 2004-02-05 US claimed
US-20030100567-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2003-05-29 US claimed
WO-2003000687-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-01-03 WO claimed
EP-1404672-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-01-18 EP disclosed
US-6875767-B2 (5-cyano-2-thiazolyl)amino-4-pyridine tyrosine kinase inhibitors MERCK & CO., INC. (US) 2005-04-05 US disclosed
US-6872724-B2 Polymorphs with tyrosine kinase activity MERCK & CO., INC. (US) 2005-03-29 US disclosed
US-6872724-B2 Polymorphs with tyrosine kinase activity MERCK & CO., INC. (US) 2005-03-29 US disclosed
EP-1404672-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2004-04-07 EP disclosed
US-20040023979-A1 Process for making substituted thiazolyl-amino pyridines ZHAO MATTHEW M (US) 2004-02-05 US disclosed
US-20040023981-A1 Salt forms with tyrosine kinase activity REN YU (US) 2004-02-05 US disclosed
US-20040023981-A1 Salt forms with tyrosine kinase activity REN YU (US) 2004-02-05 US disclosed
US-20030100567-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2003-05-29 US disclosed
WO-2003000687-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-01-03 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 (5 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-20040023981-A1 Salt forms with tyrosine kinase activity TEK, MAP3K1, MAP3K2 KDR 16/4885TBK1 481/4885
US-20040023979-A1 Process for making substituted thiazolyl-amino pyridines ERBB2, ERBB4, TYRO3 KDR 110/4885TBK1 99/4885
US-20040023978-A1 Active salt forms with tyrosine kinase activity STAT3, MAP3K1, MAP3K5 KDR 52/4885TBK1 345/4885
US-20040023980-A1 Polymorphs with tyrosine kinase activity KDR, FLT1, FLT4 KDR 1/4885TBK1 546/4885
US-20030100567-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885TBK1 145/4885

“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.