SCHEMBL3731487

SCHEMBL3731487

Cc1ccc(NC(=O)NCc2c(F)ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 4/20 0.40
EPHX2 P34913 5/20 0.39
WNT3A P56704 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
ALDH1A1 P00352 2/20 0.38
VEGFA P15692 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
GLS O94925 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL3730991 0.92 ALDH1A1 (0.40) MAPTKMT2AEPHX2ALDH1A1KDM4E
SCHEMBL3734061 0.91 ALDH1A1 (0.48) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL3743390 0.88 KCNQ3 (0.39) MEN1KMT2AALDH1A1NAMPT
SCHEMBL3204632 0.87 MAPT (0.44) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL3735920 0.85 TBK1 (0.45) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL3736246 0.83 NAMPT (0.43) MEN1KMT2AALDH1A1KDM4ENAMPT
SCHEMBL3734452 0.83 NAMPT (0.43) ALDH1A1KDM4ENAMPT
SCHEMBL401677 0.82 RORC (0.44) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL3733894 0.81 NAMPT (0.41) ALDH1A1NAMPT
SCHEMBL3739053 0.80 ALDH1A1 (0.43) MAPTKMT2ASMN1; SMN2ALDH1A1KDM4E

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 6 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-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US claimed
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US disclosed
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP 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

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

For each of this compound's patents that has machine-readable text (1 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-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 MEN1 4319/4885MAPT 900/4885TSHR 3989/4885

“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.