SCHEMBL2724495

SCHEMBL2724495

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 5/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ LCK P06239 4/20 0.45
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAOB P27338 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ NFKB2 Q00653 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
SCHEMBL211696 0.91 NPC1 (0.53) CSNK1DHSD17B10LCKPOLBMAPT
SCHEMBL209776 0.90 CSNK1D (0.51) CSNK1DDYRK1ALCKMAPTNPC1
SCHEMBL2722984 0.88 CSNK1D (0.47) CSNK1DLCKPOLBMAPTNPC1
SCHEMBL210238 0.88 RAB9A (0.55) CSNK1DDYRK1AMAPTNPC1RAB9A
SCHEMBL2721548 0.88 CSNK1D (0.64) CSNK1DDYRK1APOLBMAPTNPC1
SCHEMBL2722965 0.87 CSNK1D (0.46) CSNK1DLCKPOLBMAPTNPC1
SCHEMBL2724480 0.86 ALDH1A1 (0.53) CSNK1DHSD17B10POLBMAPTNPC1
SCHEMBL2721534 0.86 CSNK1D (0.62) CSNK1DDYRK1A
SCHEMBL2722236 0.86 CSNK1D (0.45) CSNK1DLCKPOLBMAPTNPC1
SCHEMBL8510224 0.85 DYRK1A (0.49) CSNK1DDYRK1AHSD17B10LCKNPC1

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 9 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-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 4356/4885HSD17B10 2636/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885DYRK1A 4356/4885HSD17B10 2636/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885DYRK1A 4356/4885HSD17B10 2636/4885

“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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