SCHEMBL210724

SCHEMBL210724

Cc1cc(NC(=O)OCCN(C)C(=O)NCc2ccccc2Cl)ncc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
MAPK8 P45983 1/20 0.38
EPHX2 P34913 1/20 0.38
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HCRTR2 O43614 2/20 0.36
ANO1 Q5XXA6 1/20 0.36
NR3C1 P04150 1/20 0.36
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 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
SCHEMBL212762 0.92 MAPK1 (0.40) MAPK1KDM4ELMNASMN1; SMN2NPC1
SCHEMBL210963 0.90 P2RX7 (0.35) MAPK1RAB9AALDH1A1HCRTR2ANO1
SCHEMBL2721312 0.86 NPC1 (0.40) MAPK1KDM4ELMNASMN1; SMN2NPC1
SCHEMBL2721468 0.86 SMN1; SMN2 (0.40) MAPK1KDM4ELMNASMN1; SMN2NPC1
SCHEMBL2721906 0.85 KMT2A (0.44) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL214312 0.85 NPC1 (0.41) MAPK1KDM4ELMNASMN1; SMN2NPC1
SCHEMBL210821 0.85 GCK (0.36) MAPK1RAB9AALDH1A1ANO1
SCHEMBL2721263 0.84 SMN1; SMN2 (0.43) MAPK1KDM4ELMNASMN1; SMN2NPC1
SCHEMBL210652 0.84 RAB9A (0.44) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL211839 0.83 GCK (0.36) MAPK1RAB9AALDH1A1ANO1

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 14 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-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-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-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-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-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 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
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 MAPK1 2926/4885KDM4E 3281/4885LMNA 216/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPK1 2926/4885KDM4E 3281/4885LMNA 216/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPK1 2926/4885KDM4E 3281/4885LMNA 216/4885

“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.