SCHEMBL745709

SCHEMBL745709

N#Cc1[c]c(C#N)c(C#N)cc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL6864428 0.69 HTT (0.37) TSHR
SCHEMBL745049 0.68
SCHEMBL621799 0.68 TSHR (0.38) TSHR
SCHEMBL3525889 0.64 CA1 (0.43) TSHR
SCHEMBL328971 0.62 TSHR (0.39) TSHR
SCHEMBL17110588 0.62 TRPV4 (0.30) TRPV4
SCHEMBL15064126 0.62 TSHR (0.34) TSHR
SCHEMBL6035885 0.59 EGFR (0.32) TSHR
SCHEMBL6418911 0.59 KDM4E (0.35) TSHR
SCHEMBL2041393 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101472924-A KV1.5 potassium channel inhibitors WYETH CORP (US) 2009-07-01 CN claimed
EP-2035420-A2 KV1.5 POTASSIUM CHANNEL INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-03-18 EP claimed
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US claimed
WO-2007149873-A2 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 WO claimed
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US claimed
EP-1737830-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS The Procter and Gamble Company (US) 2007-01-03 EP claimed
WO-2005105757-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-11-10 WO claimed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US claimed
CN-102438452-B Compounds and compositions comprising CDK inhibitors and methods for treating cancer UNIV GEORGIA STATE RES FOUND 2015-02-25 CN disclosed
US-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER SHANDONG UNIVERSITY (CN) 2012-05-17 US disclosed
CN-102438452-A Compounds and compositions comprising cdk inhibitors and methods for the treatment of cancer UNIV GEORGIA STATE RES FOUND 2012-05-02 CN disclosed
EP-2429292-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER Georgia State University Research Foundation, Inc. (US) 2012-03-21 EP disclosed
WO-2010129858-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-11-11 WO disclosed
US-7803827-B2 1-N-amino-2-imidazolidinones and derivatives thereof which are effective as Kv1.5 potassium channel inhibitors providing atrial-selective antiarrhythmic agents; 1-(aminosulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(3,4-dimethylphenyl)-2-imidazolidinone WYETH LLC (US) 2010-09-28 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
EP-0583971-A1 Piperidine derivatives SANKYO COMPANY LIMITED (JP) 1994-02-23 EP disclosed
CN-1064683-A New beta-amino-alpha-hydroxycarboxylic acids and uses thereof SANKYO CO (JP) 1992-09-23 CN disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
CN-1052481-A Lipoid category-A with immunocompetence and anti-tumor activity is like thing SANKYO CO (JP) 1991-06-26 CN 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-20050245555-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 TRPV4 4650/4885TSHR 3023/4885
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 TRPV4 98/4885TSHR 1447/4885
US-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER CDK6, CDK5, CDK4 TRPV4 4737/4885TSHR 4473/4885

“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.