SCHEMBL2721555

SCHEMBL2721555

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 8/20 0.54
▸ DYRK1A Q13627 1/20 0.51
▸ TSHR P16473 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ CASR P41180 1/20 0.45
▸ ACP1 P24666 1/20 0.45
▸ CSNK2A2 P19784 1/20 0.43
▸ CSNK2B P67870 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ CSNK2A3 Q8NEV1 1/20 0.43

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
SCHEMBL2721548 0.91 CSNK1D (0.64) CSNK1DDYRK1ATSHRHDAC6GHSR
SCHEMBL2721534 0.89 CSNK1D (0.62) CSNK1DDYRK1AACP1
SCHEMBL209776 0.88 CSNK1D (0.51) CSNK1DDYRK1ATSHRSMN1; SMN2NPC1
SCHEMBL2722984 0.86 CSNK1D (0.47) CSNK1DTSHRCNR1CNR2SMN1; SMN2
SCHEMBL210238 0.86 RAB9A (0.55) CSNK1DDYRK1ACNR1CNR2SMN1; SMN2
SCHEMBL2722236 0.86 CSNK1D (0.45) CSNK1DTSHRCNR1CNR2SMN1; SMN2
SCHEMBL211696 0.85 NPC1 (0.53) CSNK1DTSHRCASRACP1SMN1; SMN2
SCHEMBL2724495 0.85 CSNK1D (0.47) CSNK1DDYRK1ATSHRSMN1; SMN2NPC1
SCHEMBL2722965 0.85 CSNK1D (0.46) CSNK1DTSHRACP1CSNK2A2CSNK2B
SCHEMBL2724480 0.84 ALDH1A1 (0.53) CSNK1DACP1GHSRSMN1; SMN2NPC1

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 4356/4885TSHR 3960/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885DYRK1A 4356/4885TSHR 3960/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885DYRK1A 4356/4885TSHR 3960/4885

“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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