SCHEMBL212790

SCHEMBL212790

CN1CCN(CC[C@@H](COC(=O)Nc2cc3ccccc3cn2)N(C)C(=O)NCc2ccccc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.39
ABL1 P00519 4/20 0.38
GAA P10253 1/20 0.36
GSK3B P49841 5/20 0.36
DYRK1A Q13627 5/20 0.36
FGFR1 P11362 2/20 0.35
KDR P35968 1/20 0.35
EGFR P00533 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
CTSK P43235 1/20 0.35
WNT1 P04628 2/20 0.35
NPC1 O15118 1/20 0.35
TACR1 P25103 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4344068 0.94 TACR1 (0.35) BDKRB1GSK3BDYRK1ACTSKWNT1
SCHEMBL213694 0.94 PHGDH (0.34) BDKRB1GSK3BDYRK1ACTSKWNT1
SCHEMBL212789 0.93 SMN1; SMN2 (0.42) BDKRB1GAAGSK3BDYRK1AWNT1
SCHEMBL213637 0.92 BDKRB1 (0.35) BDKRB1GAAGSK3BDYRK1ACTSK
SCHEMBL210462 0.92 ALDH1A1 (0.44) GAACTSKNPC1ALDH1A1
SCHEMBL212309 0.91 BDKRB1 (0.34) BDKRB1ABL1CTSKNPC1TACR1
SCHEMBL210201 0.88 ADCY10 (0.35) BDKRB1EGFRCTSKNPC1TACR1
SCHEMBL2723081 0.88 NPC1 (0.39) ABL1CTSKNPC1ALDH1A1SMN1; SMN2
SCHEMBL2722205 0.87 ALDH1A1 (0.39) CTSKNPC1ALDH1A1SMN1; SMN2
SCHEMBL210692 0.87 GSK3B (0.35) ABL1GSK3BDYRK1AFGFR1KDR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US claimed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US claimed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US claimed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
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-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-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-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-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 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
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 BDKRB1 2260/4885ABL1 956/4885GAA 346/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 BDKRB1 2260/4885ABL1 956/4885GAA 346/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 BDKRB1 2260/4885ABL1 956/4885GAA 346/4885

“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.