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SCHEMBL212608

SCHEMBL212608

[CH2]CCC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(C)C(=O)NCc1cccc(F)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 1/20 0.37
▸ ABL1 P00519 7/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31
▸ QPCT Q16769 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ANO1 Q5XXA6 1/20 0.30
▸ HSD17B13 Q7Z5P4 1/20 0.30
▸ DYRK1A Q13627 2/20 0.30
▸ GSK3B P49841 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
SCHEMBL212118 0.96 CTSK (0.36) CTSKABL1NOTUMMAPK1PKM
SCHEMBL213943 0.94 ABL1 (0.34) CTSKABL1MAPK1DYRK1AGSK3B
SCHEMBL2723788 0.93 CTSK (0.37) CTSKABL1NOTUMMAPK1PKM
SCHEMBL213763 0.93 CTSK (0.37) CTSKABL1NOTUMMAPK1PKM
SCHEMBL210608 0.93 CTSK (0.37) CTSKABL1NOTUMMAPK1PKM
SCHEMBL212250 0.93 CTSK (0.37) CTSKABL1NOTUMMAPK1PKM
SCHEMBL4346244 0.92 CTSK (0.38) CTSKABL1NOTUMMAPK1PKM
SCHEMBL215416 0.92 CTSK (0.38) CTSKABL1NOTUMMAPK1PKM
SCHEMBL27789140 0.92 NOTUM (0.34) CTSKABL1NOTUMMAPK1PKM
SCHEMBL213061 0.92 CTSK (0.36) CTSKABL1NOTUMMAPK1PKM

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 6 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-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 CTSK 1455/4885ABL1 956/4885NOTUM 2164/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885ABL1 956/4885NOTUM 2164/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885ABL1 956/4885NOTUM 2164/4885

“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.