SCHEMBL209978

SCHEMBL209978

CC(=O)N(CCON(C=O)c1nc2ccc(C(F)(F)F)cc2s1)NCc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 14/20 0.49
DYRK1A Q13627 1/20 0.38
MAOB P27338 1/20 0.37
CYP2D6 P10635 1/20 0.36
TP53 P04637 1/20 0.35
CACNA1H O95180 1/20 0.34
CACNA1B Q00975 1/20 0.34
ACP1 P24666 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
SCHEMBL214821 0.89 CSNK1D (0.43) CSNK1DDYRK1AMAOBTP53CACNA1H
SCHEMBL209925 0.88 CSNK1D (0.51) CSNK1DDYRK1AMAOB
SCHEMBL213647 0.86 GHSR (0.41) CSNK1DMAOBTP53ACP1
SCHEMBL4350654 0.84 CSNK1D (0.43) CSNK1DDYRK1AACP1
SCHEMBL210169 0.80 RAD52 (0.41) DYRK1ATP53
SCHEMBL212267 0.80 HPGD (0.36) CSNK1DTP53
SCHEMBL209728 0.80 EPHX2 (0.37) TP53
SCHEMBL2843053 0.79 CSNK1D (0.42) CSNK1DDYRK1AACP1
SCHEMBL211174 0.77 SMN1; SMN2 (0.36) TP53
SCHEMBL4347050 0.77 MAPT (0.38) TP53

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 CSNK1D 754/4885DYRK1A 4356/4885MAOB 378/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885DYRK1A 4356/4885MAOB 378/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885DYRK1A 4356/4885MAOB 378/4885

“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.