SCHEMBL210472

SCHEMBL210472

CN(C(=O)NCc1cccc(F)c1Cl)[C@@H](CNC(=O)CN)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
CARM1 Q86X55 1/20 0.33
ABL1 P00519 7/20 0.32
CTSK P43235 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
P2RX7 Q99572 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
MAP4K1 Q92918 1/20 0.30
WNT3A P56704 1/20 0.30
MAP3K7 O43318 1/20 0.30
MAP3K6 O95382 1/20 0.30
MAP3K5 Q99683 1/20 0.30

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
SCHEMBL213899 0.94 CARM1 (0.36) CARM1ABL1MAPK1ANO1
SCHEMBL211438 0.94 CARM1 (0.36) CARM1ABL1MAPK1ANO1
SCHEMBL213898 0.94 CARM1 (0.36) CARM1ABL1MAPK1ANO1
SCHEMBL213404 0.93 NOTUM (0.35) NOTUMCARM1ABL1CTSKPKM
SCHEMBL2758496 0.92 NOTUM (0.36) NOTUMCARM1ABL1CTSKPKM
SCHEMBL8510314 0.92 NOTUM (0.35) NOTUMABL1CTSKPKMMAPK1
SCHEMBL210405 0.92 NOTUM (0.34) NOTUMABL1CTSKALDH1A1MAPT
SCHEMBL211345 0.92 NOTUM (0.34) NOTUMABL1CTSKALDH1A1MAPT
SCHEMBL211344 0.92 NOTUM (0.34) NOTUMABL1CTSKALDH1A1MAPT
SCHEMBL210729 0.92 CTSK (0.35) NOTUMCARM1CTSKALDH1A1MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US claimed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US claimed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US claimed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
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-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 NOTUM 2164/4885CARM1 1403/4885ABL1 956/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NOTUM 2164/4885CARM1 1403/4885ABL1 956/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NOTUM 2164/4885CARM1 1403/4885ABL1 956/4885

“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.