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SCHEMBL212593

SCHEMBL212593

CC(=O)N(CCOC(=O)Nc1ccc(C(N)=O)cn1)NCc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.39
▸ GCK P35557 1/20 0.39
▸ NNMT P40261 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ ROCK2 O75116 1/20 0.35

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
SCHEMBL209913 0.91 GCK (0.39) EPHX2GCKJAK2JAK1TYK2
SCHEMBL209559 0.87 RAB9A (0.39) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL212594 0.84 EPHX2 (0.42) EPHX2GCKNNMTJAK2JAK1
SCHEMBL2880895 0.79 KMT2A (0.42) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL8510224 0.79 DYRK1A (0.49) SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL212356 0.77 EPHX2 (0.43) EPHX2GCKHDAC3SMN1; SMN2ALDH1A1
SCHEMBL211381 0.76 KMT2A (0.48) RAB9ANPC1MAPT
SCHEMBL209914 0.74 EPHX2 (0.42) EPHX2GCKHDAC3SMN1; SMN2ALDH1A1
SCHEMBL210936 0.74 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL14718849 0.74 P2RX4 (0.38) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT

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 2051/4885GCK 4035/4885NNMT 327/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 EPHX2 2051/4885GCK 4035/4885NNMT 327/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 EPHX2 2051/4885GCK 4035/4885NNMT 327/4885

“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.