SCHEMBL4353736

SCHEMBL4353736

CC(=O)N(CCOC(=O)Nc1cc2ccccc2cn1)NCc1cccc(F)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
ABL1 P00519 5/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 1/20 0.34
CTSK P43235 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
P2RX4 Q99571 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
MTOR P42345 1/20 0.33
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
WNT3A P56704 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CHEK1 O14757 1/20 0.32

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
SCHEMBL210417 0.91 ABL1 (0.38) ABL1ANO1P2RX4RAB9A
SCHEMBL210121 0.91 ABL1 (0.34) ABL1ALDH1A1MAPTANO1P2RX4
SCHEMBL212461 0.90 MAPK1 (0.34) ABL1ALDH1A1MAPTANO1P2RX4
SCHEMBL210445 0.90 ABL1 (0.35) ABL1ALDH1A1MAPTLMNARAB9A
SCHEMBL209682 0.89 MAPT (0.34) ALDH1A1MAPTANO1P2RX4MAPK1
SCHEMBL210117 0.89 JAK3 (0.37) ANO1P2RX4MAPK1
SCHEMBL212756 0.84 NOTUM (0.37) NOTUMABL1ALDH1A1MAPTCTSK
SCHEMBL8510311 0.81 P2RX4 (0.34) NOTUMABL1ALDH1A1MAPTCTSK
SCHEMBL212521 0.81 P2RX4 (0.32) NOTUMABL1CTSKP2RX4TDP1
SCHEMBL2867935 0.80 P2RX4 (0.35) NOTUMABL1ALDH1A1MAPTCTSK

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 5 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-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 2164/4885ABL1 956/4885ALDH1A1 1710/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NOTUM 2164/4885ABL1 956/4885ALDH1A1 1710/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NOTUM 2164/4885ABL1 956/4885ALDH1A1 1710/4885

“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.