SCHEMBL214821

SCHEMBL214821

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 7/20 0.43
DYRK1A Q13627 1/20 0.41
MAOB P27338 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ACP1 P24666 1/20 0.36
CTSD P07339 1/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL209925 0.91 CSNK1D (0.51) CSNK1DDYRK1AMAOBHDAC6MAPT
SCHEMBL209978 0.89 CSNK1D (0.49) CSNK1DDYRK1AMAOBACP1CACNA1H
SCHEMBL2843053 0.88 CSNK1D (0.42) CSNK1DDYRK1AACP1MAPTLMNA
SCHEMBL4350654 0.85 CSNK1D (0.43) CSNK1DDYRK1AACP1NPC1RAB9A
SCHEMBL213647 0.85 GHSR (0.41) CSNK1DMAOBACP1MAPTNPC1
SCHEMBL210169 0.79 RAD52 (0.41) DYRK1AMAPTNPC1RAB9ALMNA
SCHEMBL212267 0.79 HPGD (0.36) CSNK1DMAPTCNR1CNR2NPC1
SCHEMBL211174 0.76 SMN1; SMN2 (0.36) HDAC3HDAC1HDAC2HDAC6NPC1
SCHEMBL4347050 0.76 MAPT (0.38) MAPTNPC1RAB9AUSP2LMNA
SCHEMBL209578 0.74 ROCK2 (0.35) CSNK1DMAOBHDAC3HDAC1HDAC2

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.