Sugi Predict

Sugi Predict / Compounds / SCHEMBL209905

SCHEMBL209905

SCHEMBL209905

CN(C(=O)NCc1cccc(F)c1Cl)C(CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.36
▸ GPR119 Q8TDV5 4/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ BTK Q06187 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNA1I Q9P0X4 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ KDM1B Q8NB78 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ MDM4 O15151 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP3A5 P20815 1/20 0.31

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
SCHEMBL209906 1.00 ACHE (0.36) ACHEGPR119CCNT1BTKEPHX2
SCHEMBL211042 0.94 CCNT1 (0.36) ACHEGPR119CCNT1BTKEPHX2
SCHEMBL212357 0.94 CCNT1 (0.36) ACHEGPR119CCNT1BTKEPHX2
SCHEMBL211629 0.94 GPR119 (0.39) ACHEGPR119CCNT1BTKEPHX2
SCHEMBL4354883 0.92 CTSK (0.32) TRPV1
SCHEMBL2728456 0.92 CCKBR (0.33) BTKTRPV1GSK3BDYRK1A
SCHEMBL212646 0.91 CCR3 (0.31) ACHEGPR119CCNT1TRPV1
SCHEMBL213596 0.91 BDKRB1 (0.34) BTKTRPV1GSK3BDYRK1A
SCHEMBL213595 0.91 BDKRB1 (0.34) BTKTRPV1GSK3BDYRK1A
SCHEMBL213082 0.91 BDKRB1 (0.33) ACHEEPHX2TRPV1GSK3BDYRK1A

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-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 — — US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 — — US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 — — US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 — — US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 — — US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 — — US 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ACHE 98/4885GPR119 1271/4885CCNT1 3725/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ACHE 98/4885GPR119 1271/4885CCNT1 3725/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ACHE 98/4885GPR119 1271/4885CCNT1 3725/4885

“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.