Sugi Predict

Sugi Predict / Compounds / SCHEMBL212118

SCHEMBL212118

SCHEMBL212118

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 1/20 0.36
▸ NOTUM Q6P988 1/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ ABL1 P00519 4/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ANO1 Q5XXA6 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ QPCT Q16769 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MTOR P42345 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
SCHEMBL212608 0.96 CTSK (0.37) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL27789140 0.94 NOTUM (0.34) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL27810814 0.94 CTSK (0.40) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL27789219 0.94 CTSK (0.40) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL4341224 0.93 ABL1 (0.34) CTSKMAPK1PKMRAB9AP2RX7
SCHEMBL2837662 0.93 CTSK (0.34) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL212976 0.92 P2RX7 (0.33) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL2723788 0.92 CTSK (0.37) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL2728062 0.92 CTSK (0.37) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL211551 0.92 CTSK (0.37) CTSKNOTUMMAPK1PKMRAB9A

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 1455/4885NOTUM 2164/4885MAPK1 2926/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885NOTUM 2164/4885MAPK1 2926/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885NOTUM 2164/4885MAPK1 2926/4885

“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.