Sugi Predict

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SCHEMBL209728

SCHEMBL209728

CC(=O)N(CCON(C=O)c1ccc(C(F)(F)F)cn1)NCc1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.37
▸ KCNJ5 P48544 1/20 0.37
▸ KCNJ3 P48549 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ S100A4 P26447 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LIPE Q05469 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL210702 0.89 NR3C1 (0.38) EPHX2TP53POLBKDM4EHTT
SCHEMBL213609 0.88 P2RX7 (0.35) EPHX2P2RX7TP53L3MBTL1LMNA
SCHEMBL2844811 0.86 CNR1 (0.33) RPS6KA3NPSR1POLBGAAHCRTR1
SCHEMBL212585 0.86 HTT (0.35) EPHX2NPSR1LMNAKDM4EHTT
SCHEMBL210503 0.86 EPHX2 (0.33) EPHX2L3MBTL1KDM4EHTTMAPT
SCHEMBL213252 0.86 HIF1A (0.40) EPHX2LMNA
SCHEMBL213948 0.85 SMN1; SMN2 (0.38) EPHX2HTT
SCHEMBL210066 0.84 VNN1 (0.39) EPHX2TP53KDM4EMAPT
SCHEMBL4343021 0.84 CNR1 (0.31) —
SCHEMBL209578 0.83 ROCK2 (0.35) EPHX2NPSR1LMNAKDM4EHTT

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 EPHX2 2051/4885KCNJ5 2580/4885KCNJ3 2379/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 EPHX2 2051/4885KCNJ5 2580/4885KCNJ3 2379/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 EPHX2 2051/4885KCNJ5 2580/4885KCNJ3 2379/4885

“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.