SCHEMBL2722256

SCHEMBL2722256

CN(CCOC(=O)Nc1cc2ccncc2cn1)C(=O)NCc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAP4K1 Q92918 1/20 0.39
NOTUM Q6P988 1/20 0.38
ROCK2 O75116 5/20 0.38
ROCK1 Q13464 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPK8 P45983 2/20 0.37
ANO1 Q5XXA6 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
IMPDH2 P12268 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
BCHE P06276 1/20 0.36

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
SCHEMBL2721468 0.92 SMN1; SMN2 (0.40) CYP1A2CYP3A4CYP2C19NOTUMROCK2
SCHEMBL2723244 0.85 MAP4K1 (0.35) MAP4K1NOTUMROCK2ROCK1MAPK1
SCHEMBL212762 0.85 MAPK1 (0.40) CYP1A2CYP3A4CYP2C19ROCK2ROCK1
SCHEMBL2721263 0.83 SMN1; SMN2 (0.43) MAPK1SMN1; SMN2KDM4ELMNAANO1
SCHEMBL210652 0.83 RAB9A (0.44) SMN1; SMN2KDM4ELMNANPC1RAB9A
SCHEMBL2721264 0.82 SMN1; SMN2 (0.46) CYP1A2CYP3A4CYP2C19MAPK1SMN1; SMN2
SCHEMBL210724 0.82 MAPK1 (0.39) CYP1A2CYP3A4CYP2C19ROCK2ROCK1
SCHEMBL214312 0.82 NPC1 (0.41) CYP1A2CYP3A4CYP2C19NOTUMROCK2
SCHEMBL2721906 0.82 KMT2A (0.44) CYP1A2CYP3A4CYP2C19ROCK2ROCK1
SCHEMBL2721312 0.81 NPC1 (0.40) CYP1A2CYP3A4CYP2C19ROCK2ROCK1

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 12 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-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 CYP1A2 1639/4885CYP3A4 1936/4885CYP2C19 2307/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CYP1A2 1639/4885CYP3A4 1936/4885CYP2C19 2307/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CYP1A2 1639/4885CYP3A4 1936/4885CYP2C19 2307/4885

“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.