SCHEMBL2721548

SCHEMBL2721548

COc1ccc2nc(NC(=O)OCCN(C)C(=O)NCc3ccccc3Cl)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 6/20 0.64
▸ TSHR P16473 1/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ PKM P14618 1/20 0.52
▸ GSK3A P49840 1/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ GHSR Q92847 2/20 0.51
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ CASP2 P42575 1/20 0.49
▸ SCD O00767 2/20 0.49

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 0.91 CSNK1D (0.51) CSNK1DTSHRSMN1; SMN2MAPTNPC1
SCHEMBL2721555 0.91 CSNK1D (0.54) CSNK1DTSHRSMN1; SMN2MAPTPKM
SCHEMBL2722984 0.89 CSNK1D (0.47) CSNK1DTSHRSMN1; SMN2MAPTPKM
SCHEMBL210238 0.89 RAB9A (0.55) CSNK1DSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2724495 0.88 CSNK1D (0.47) CSNK1DTSHRSMN1; SMN2MAPTNPC1
SCHEMBL2722965 0.87 CSNK1D (0.46) CSNK1DTSHRSMN1; SMN2MAPTNPC1
SCHEMBL2721534 0.87 CSNK1D (0.62) CSNK1DDYRK1A
SCHEMBL2724480 0.87 ALDH1A1 (0.53) CSNK1DSMN1; SMN2MAPTGHSRNPC1
SCHEMBL2722236 0.87 CSNK1D (0.45) CSNK1DTSHRSMN1; SMN2MAPTNPC1
SCHEMBL211696 0.86 NPC1 (0.53) CSNK1DTSHRSMN1; SMN2MAPTNPC1

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 754/4885TSHR 3960/4885SMN1; SMN2 252/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885TSHR 3960/4885SMN1; SMN2 252/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885TSHR 3960/4885SMN1; SMN2 252/4885

“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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