SCHEMBL3733586

SCHEMBL3733586

CCOC(=O)N1CCN(Cc2ccc(F)c(CNC(=O)Nc3ccc(C(C)=O)nc3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
PRKAA2 P54646 5/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KCNH2 Q12809 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
NAMPT P43490 1/20 0.40
FAAH O00519 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3744319 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL3735778 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBKCNH2DRD2
SCHEMBL3730582 0.89 PIK3CA (0.46) ALDH1A1KDM4EPOLBPRKAA2KMT2A
SCHEMBL397135 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBPRKAA2KMT2A
SCHEMBL3731100 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBPRKAA2NAMPT
SCHEMBL4237349 0.87 NAMPT (0.41) ALDH1A1KDM4EPRKAA2NAMPT
SCHEMBL3728969 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL3732995 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL3742347 0.85 FAAH (0.41) ALDH1A1KDM4EPOLBPRKAA2NAMPT
SCHEMBL3728465 0.83 MEN1 (0.43) ALDH1A1KMT2AMEN1NAMPTFAAH

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
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US claimed
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 US claimed
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US claimed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US claimed
WO-2007089336-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-08-09 WO claimed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 WO claimed
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US disclosed
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 US disclosed
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
WO-2007089336-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-08-09 WO disclosed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 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 (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-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 ALDH1A1 4108/4885KDM4E 3852/4885POLB 2656/4885
US-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 ALDH1A1 3619/4885KDM4E 2547/4885POLB 4326/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 ALDH1A1 4108/4885KDM4E 3852/4885POLB 2656/4885

“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.