SCHEMBL545708

SCHEMBL545708

CC1CN(Cc2cc(F)cc(NC(=O)Nc3ccc(C#N)nc3)c2)CCN1C(=O)O.CNC1CCN(Cc2ccc(F)c(NC(=O)Nc3ccc(F)cc3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.39
CCR1 P32246 9/20 0.38
FPR3 P25089 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
GPR35 Q9HC97 1/20 0.38
CHEK1 O14757 4/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36

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
SCHEMBL16648447 0.78 CHEK1 (0.37) CCR3CCR1CHEK1
SCHEMBL401893 0.78 RECQL (0.52) CCR3
SCHEMBL3198406 0.77 CHEK1 (0.46) CCR3CHEK1PRKAA2
SCHEMBL3201129 0.76 RORC (0.48) CCR1FPR3GPR65GPR35
SCHEMBL402016 0.75 CHEK1 (0.48) CHEK1PRKAA2
SCHEMBL3207863 0.75 FAAH (0.42) CHEK1PRKAA2
SCHEMBL398486 0.75 KDR (0.43) CHEK1PRKAA2
SCHEMBL402283 0.74 CHEK1 (0.51) CHEK1PRKAA2
SCHEMBL399033 0.73 CHEK1 (0.46) CHEK1PRKAA2
SCHEMBL398928 0.73 CCR3 (0.46) CCR3

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
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 EP claimed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP claimed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO claimed
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2021-07-01 US disclosed
US-20160115133-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2016-04-28 US disclosed
US-9150564-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2015-10-06 US disclosed
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2015-01-01 US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 US disclosed
US-8110595-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INC. (US) 2012-02-07 US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 US disclosed
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 EP disclosed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 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 (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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 CCR3 4640/4885CCR1 4696/4885FPR3 3323/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CCR3 4522/4885CCR1 4660/4885FPR3 2774/4885
US-20160115133-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CCR3 4522/4885CCR1 4660/4885FPR3 2774/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 CCR3 4640/4885CCR1 4696/4885FPR3 3323/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CCR3 4522/4885CCR1 4660/4885FPR3 2774/4885

“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.