SCHEMBL2721534

SCHEMBL2721534

CN(CCOC(=O)Nc1nc2ccc(C(F)(F)F)cc2s1)C(=O)NCc1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 16/20 0.62
▸ DYRK1A Q13627 1/20 0.48
▸ CYP2D6 P10635 1/20 0.45
▸ ACP1 P24666 1/20 0.44
▸ KDR P35968 1/20 0.42
▸ TEK Q02763 1/20 0.42

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
SCHEMBL209776 0.89 CSNK1D (0.51) CSNK1DDYRK1A
SCHEMBL2721555 0.89 CSNK1D (0.54) CSNK1DDYRK1AACP1
SCHEMBL2722984 0.88 CSNK1D (0.47) CSNK1D
SCHEMBL210238 0.87 RAB9A (0.55) CSNK1DDYRK1A
SCHEMBL2721548 0.87 CSNK1D (0.64) CSNK1DDYRK1A
SCHEMBL2722236 0.87 CSNK1D (0.45) CSNK1D
SCHEMBL211696 0.87 NPC1 (0.53) CSNK1DACP1
SCHEMBL2724495 0.86 CSNK1D (0.47) CSNK1DDYRK1A
SCHEMBL2722965 0.86 CSNK1D (0.46) CSNK1DACP1
SCHEMBL2724480 0.86 ALDH1A1 (0.53) CSNK1DACP1

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 8 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-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

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 CSNK1D 754/4885DYRK1A 4356/4885CYP2D6 2173/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885DYRK1A 4356/4885CYP2D6 2173/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885DYRK1A 4356/4885CYP2D6 2173/4885

“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.

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